-ISIS- 04110308332D 41 44 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 -0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0099 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -0.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.6667 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.4833 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 25 2 0 0 0 0 5 10 1 0 0 0 0 24 21 2 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 11 13 1 0 0 0 0 26 27 2 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 30 32 1 0 0 0 0 11 16 1 1 0 0 0 15 33 1 0 0 0 0 7 8 1 0 0 0 0 15 34 1 0 0 0 0 12 17 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 17 18 2 0 0 0 0 35 37 1 0 0 0 0 36 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 17 19 2 0 0 0 0 38 39 2 0 0 0 0 4 5 1 0 0 0 0 38 40 2 0 0 0 0 17 20 1 0 0 0 0 38 41 1 0 0 0 0 M END $$$$ -ISIS- 04110308362D 38 40 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.2625 -1.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2667 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 25 2 0 0 0 0 5 10 1 0 0 0 0 24 21 2 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 15 26 1 0 0 0 0 11 13 1 0 0 0 0 15 27 1 0 0 0 0 1 2 2 0 0 0 0 26 28 1 0 0 0 0 13 14 2 0 0 0 0 27 29 1 0 0 0 0 3 7 1 0 0 0 0 28 30 1 0 0 0 0 29 30 1 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 21 32 1 0 0 0 0 11 16 1 1 0 0 0 32 33 1 0 0 0 0 7 8 1 0 0 0 0 32 34 1 0 0 0 0 12 17 1 0 0 0 0 32 35 1 0 0 0 0 31 36 2 0 0 0 0 17 18 2 0 0 0 0 31 37 2 0 0 0 0 7 9 2 0 0 0 0 31 38 1 0 0 0 0 M END $$$$ -ISIS- 04110308372D 35 37 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2625 -1.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2667 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 18 2 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 25 2 0 0 0 0 5 10 1 0 0 0 0 24 21 2 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 15 26 1 0 0 0 0 11 13 1 0 0 0 0 15 27 1 0 0 0 0 1 2 2 0 0 0 0 26 28 1 0 0 0 0 13 14 2 0 0 0 0 27 29 1 0 0 0 0 3 7 1 0 0 0 0 28 30 1 0 0 0 0 29 30 1 0 0 0 0 13 15 1 0 0 0 0 21 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 1 0 0 0 0 11 16 1 1 0 0 0 31 33 1 0 0 0 0 7 8 1 0 0 0 0 31 34 1 0 0 0 0 12 17 1 0 0 0 0 30 35 1 0 0 0 0 M END $$$$ -ISIS- 04110308382D 35 38 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 18 2 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 30 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 31 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 24 26 1 0 0 0 0 11 13 1 0 0 0 0 25 27 1 0 0 0 0 1 2 2 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 11 16 1 1 0 0 0 32 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 30 2 0 0 0 0 M END $$$$ -ISIS- 04110309362D 43 46 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2574 -0.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6738 -0.8284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2621 -1.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5667 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 19 1 0 0 0 0 10 11 1 6 0 0 0 20 23 1 0 0 0 0 5 6 2 0 0 0 0 22 24 1 0 0 0 0 11 12 1 0 0 0 0 21 25 1 0 0 0 0 26 27 2 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 2 0 0 0 0 3 7 1 0 0 0 0 11 15 1 1 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 30 32 1 0 0 0 0 12 16 1 0 0 0 0 30 33 1 0 0 0 0 7 8 1 0 0 0 0 13 34 1 0 0 0 0 16 17 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 39 1 0 0 0 0 16 18 2 0 0 0 0 34 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 16 19 1 0 0 0 0 38 39 1 0 0 0 0 4 5 1 0 0 0 0 39 40 1 0 0 0 0 19 20 2 0 0 0 0 40 41 2 0 0 0 0 20 27 1 0 0 0 0 40 42 2 0 0 0 0 5 10 1 0 0 0 0 40 43 1 0 0 0 0 M END $$$$ -ISIS- 04110308392D 39 42 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -3.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 30 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 31 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 24 26 1 0 0 0 0 11 13 1 0 0 0 0 25 27 1 0 0 0 0 1 2 2 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 11 16 1 1 0 0 0 32 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 30 2 0 0 0 0 29 36 2 0 0 0 0 17 18 2 0 0 0 0 29 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 17 19 2 0 0 0 0 37 39 1 0 0 0 0 M END $$$$ -ISIS- 04110309392D 36 39 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1578 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5453 0.2075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7625 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1757 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -0.3833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 18 2 0 0 0 0 7 9 2 0 0 0 0 13 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 19 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 16 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 11 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 2 0 0 0 0 3 7 1 0 0 0 0 11 15 1 1 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 27 32 2 0 0 0 0 29 33 1 1 0 0 0 12 16 1 0 0 0 0 26 33 1 1 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 16 17 2 0 0 0 0 33 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$ -ISIS- 04110309152D 35 38 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 -0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0099 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 18 2 0 0 0 0 7 9 2 0 0 0 0 16 19 1 0 0 0 0 4 5 1 0 0 0 0 13 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 20 22 1 0 0 0 0 10 11 1 6 0 0 0 21 23 1 0 0 0 0 5 6 2 0 0 0 0 22 24 1 0 0 0 0 11 12 1 0 0 0 0 23 25 1 0 0 0 0 25 24 1 0 0 0 0 19 30 2 0 0 0 0 6 1 1 0 0 0 0 29 26 2 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 28 19 1 0 0 0 0 13 14 2 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 11 15 1 1 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 12 16 1 0 0 0 0 32 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 16 17 2 0 0 0 0 25 35 1 0 0 0 0 M END $$$$ -ISIS- 04110308422D 38 41 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 30 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 31 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 24 26 1 0 0 0 0 11 13 1 0 0 0 0 25 27 1 0 0 0 0 1 2 2 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 11 16 1 1 0 0 0 32 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 30 2 0 0 0 0 29 36 2 0 0 0 0 17 18 2 0 0 0 0 29 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 M END $$$$ -ISIS- 04110309162D 41 45 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4819 -2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -0.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -3.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.5167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 10 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 34 22 1 0 0 0 0 10 11 1 6 0 0 0 16 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 2 0 0 0 0 24 28 1 0 0 0 0 11 12 1 0 0 0 0 27 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 26 23 1 0 0 0 0 11 13 1 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 2 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 11 15 1 1 0 0 0 30 31 2 0 0 0 0 3 4 2 0 0 0 0 31 32 1 0 0 0 0 32 27 2 0 0 0 0 12 16 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 16 17 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 16 18 2 0 0 0 0 36 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 13 19 1 0 0 0 0 21 39 1 6 0 0 0 4 5 1 0 0 0 0 39 40 2 0 0 0 0 19 20 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 41 -1 M END $$$$ -ISIS- 04110308422D 38 41 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 30 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 31 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 24 26 1 0 0 0 0 11 13 1 0 0 0 0 25 27 1 0 0 0 0 1 2 2 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 11 16 1 1 0 0 0 32 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 30 2 0 0 0 0 29 36 2 0 0 0 0 17 18 2 0 0 0 0 29 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 M END $$$$ -ISIS- 04110308432D 35 38 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 18 2 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 27 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 28 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 11 13 1 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 2 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 13 15 1 0 0 0 0 30 31 2 0 0 0 0 3 4 2 0 0 0 0 31 32 1 0 0 0 0 32 27 2 0 0 0 0 11 16 1 1 0 0 0 24 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 26 1 0 0 0 0 M END $$$$ -ISIS- 04110308442D 37 40 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 27 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 3 4 2 0 0 0 0 24 32 1 0 0 0 0 11 16 1 1 0 0 0 25 33 1 0 0 0 0 7 8 1 0 0 0 0 32 34 1 0 0 0 0 34 33 1 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 17 18 2 0 0 0 0 35 37 1 0 0 0 0 M END $$$$ -ISIS- 04110309402D 41 45 0 0 0 0 0 0 0 0999 V2000 0.2117 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4952 -2.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 -2.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 -1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 -2.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3684 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 -1.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 -2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3589 -2.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9417 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 20 1 0 0 0 0 9 10 2 0 0 0 0 20 21 2 0 0 0 0 10 5 1 0 0 0 0 20 22 2 0 0 0 0 2 31 1 0 0 0 0 17 23 1 0 0 0 0 7 11 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 11 12 1 0 0 0 0 23 26 1 0 0 0 0 5 6 2 0 0 0 0 26 27 1 0 0 0 0 11 13 2 0 0 0 0 27 28 1 0 0 0 0 20 1 1 0 0 0 0 30 3 1 0 0 0 0 28 29 1 0 0 0 0 30 31 2 0 0 0 0 9 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 1 6 0 0 0 1 2 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 34 33 1 0 0 0 0 15 16 1 0 0 0 0 7 8 2 0 0 0 0 34 35 2 0 0 0 0 15 17 1 0 0 0 0 35 36 1 0 0 0 0 3 4 2 0 0 0 0 36 37 2 0 0 0 0 17 18 2 0 0 0 0 37 38 1 0 0 0 0 8 9 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 15 19 1 1 0 0 0 32 40 2 0 0 0 0 4 1 1 0 0 0 0 33 41 2 0 0 0 0 M END $$$$ -ISIS- 04110309402D 32 34 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 7 9 2 0 0 0 0 13 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 19 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 16 26 1 0 0 0 0 11 13 1 0 0 0 0 26 27 2 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 2 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 11 15 1 1 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 3 4 2 0 0 0 0 29 32 1 0 0 0 0 M END $$$$ -ISIS- 04110309412D 39 41 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 19 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 16 26 1 0 0 0 0 11 13 1 0 0 0 0 26 27 2 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 13 14 2 0 0 0 0 28 29 2 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 11 15 1 1 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 3 4 2 0 0 0 0 29 32 1 0 0 0 0 12 16 1 0 0 0 0 25 33 2 0 0 0 0 7 8 1 0 0 0 0 25 34 2 0 0 0 0 16 17 2 0 0 0 0 25 35 1 0 0 0 0 27 36 1 0 0 0 0 16 18 2 0 0 0 0 31 37 1 0 0 0 0 7 9 2 0 0 0 0 30 38 1 0 0 0 0 13 19 1 0 0 0 0 32 39 1 0 0 0 0 M END $$$$ -ISIS- 04110309432D 40 43 0 0 0 0 0 0 0 0999 V2000 0.2117 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4952 -2.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 -2.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 -1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 -2.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -2.3901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6501 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 16 20 1 0 0 0 0 9 10 2 0 0 0 0 20 21 2 0 0 0 0 10 5 1 0 0 0 0 20 22 2 0 0 0 0 2 31 1 0 0 0 0 17 23 1 0 0 0 0 7 11 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 11 12 1 0 0 0 0 23 26 1 0 0 0 0 5 6 2 0 0 0 0 26 27 1 0 0 0 0 11 13 2 0 0 0 0 27 28 1 0 0 0 0 30 3 1 0 0 0 0 28 29 1 0 0 0 0 20 1 1 0 0 0 0 30 31 2 0 0 0 0 9 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 1 6 0 0 0 1 2 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 34 33 1 0 0 0 0 15 16 1 0 0 0 0 7 8 2 0 0 0 0 34 35 1 0 0 0 0 15 17 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 17 18 2 0 0 0 0 34 38 1 0 0 0 0 8 9 1 0 0 0 0 34 39 1 0 0 0 0 15 19 1 1 0 0 0 4 40 1 0 0 0 0 M END $$$$ -ISIS- 04110308452D 38 42 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4819 -2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -0.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 27 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 24 33 1 0 0 0 0 3 4 2 0 0 0 0 25 32 1 0 0 0 0 34 32 1 0 0 0 0 11 16 1 1 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 17 18 2 0 0 0 0 36 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 M END $$$$ -ISIS- 04110308462D 37 40 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -3.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 27 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 24 33 1 0 0 0 0 3 4 2 0 0 0 0 25 32 1 0 0 0 0 34 32 1 0 0 0 0 11 16 1 1 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 17 18 2 0 0 0 0 35 37 1 0 0 0 0 M END $$$$ -ISIS- 09220310532D 36 39 0 0 0 0 0 0 0 0999 V2000 -0.3890 -2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 -3.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3247 -4.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0411 -3.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 -2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 -2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -5.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -5.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -1.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0958 -0.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -0.9875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.2666 -0.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2541 -1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 -0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -1.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9626 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0224 -0.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6712 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3829 -2.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0974 -2.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3835 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 24 1 0 0 0 0 2 3 1 0 0 0 0 23 21 1 0 0 0 0 10 11 1 6 0 0 0 21 22 2 0 0 0 0 22 19 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 23 24 1 0 0 0 0 6 1 1 0 0 0 0 24 25 2 0 0 0 0 11 13 1 0 0 0 0 25 26 1 0 0 0 0 1 2 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 23 2 0 0 0 0 3 7 1 0 0 0 0 11 14 1 1 0 0 0 3 4 2 0 0 0 0 12 15 1 0 0 0 0 7 8 1 0 0 0 0 15 16 2 0 0 0 0 13 29 2 0 0 0 0 15 17 2 0 0 0 0 18 30 1 0 0 0 0 7 9 2 0 0 0 0 30 31 1 0 0 0 0 13 18 1 0 0 0 0 31 32 2 0 0 0 0 4 5 1 0 0 0 0 32 33 1 0 0 0 0 15 19 1 0 0 0 0 33 34 2 0 0 0 0 5 10 1 0 0 0 0 34 35 1 0 0 0 0 19 20 2 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 M END $$$$ -ISIS- 04110308472D 34 37 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 27 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 24 33 1 0 0 0 0 3 4 2 0 0 0 0 25 32 1 0 0 0 0 34 32 1 0 0 0 0 11 16 1 1 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 M END $$$$ -ISIS- 04110308482D 38 41 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 27 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 24 33 1 0 0 0 0 3 4 2 0 0 0 0 25 32 1 0 0 0 0 34 32 1 0 0 0 0 11 16 1 1 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 12 17 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 17 18 2 0 0 0 0 35 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 M END $$$$ -ISIS- 04110309432D 34 36 0 0 0 0 0 0 0 0999 V2000 0.2117 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1964 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 8 10 2 0 0 0 0 14 20 1 0 0 0 0 5 6 1 0 0 0 0 20 21 1 0 0 0 0 6 11 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 3 4 1 0 0 0 0 20 23 1 0 0 0 0 11 12 1 6 0 0 0 23 24 1 0 0 0 0 6 7 2 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 17 1 1 0 0 0 0 7 2 1 0 0 0 0 1 27 2 0 0 0 0 12 14 1 0 0 0 0 27 28 1 0 0 0 0 2 3 2 0 0 0 0 28 29 2 0 0 0 0 14 15 2 0 0 0 0 29 30 1 0 0 0 0 4 8 1 0 0 0 0 30 31 2 0 0 0 0 31 1 1 0 0 0 0 12 16 1 1 0 0 0 27 32 1 0 0 0 0 4 5 2 0 0 0 0 31 33 1 0 0 0 0 13 17 1 0 0 0 0 29 34 1 0 0 0 0 M END $$$$ -ISIS- 04110308492D 34 37 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 7 9 2 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 27 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 24 33 1 0 0 0 0 3 4 2 0 0 0 0 25 32 1 0 0 0 0 34 32 1 0 0 0 0 11 16 1 1 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 M END $$$$ -ISIS- 04110309442D 40 42 0 0 0 0 0 0 0 0999 V2000 0.2117 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1964 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -1.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6833 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -0.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5083 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -3.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 20 21 1 0 0 0 0 6 11 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 3 4 1 0 0 0 0 20 23 1 0 0 0 0 11 12 1 6 0 0 0 23 24 1 0 0 0 0 6 7 2 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 17 1 1 0 0 0 0 7 2 1 0 0 0 0 1 27 2 0 0 0 0 12 14 1 0 0 0 0 27 28 1 0 0 0 0 2 3 2 0 0 0 0 28 29 2 0 0 0 0 14 15 2 0 0 0 0 29 30 1 0 0 0 0 4 8 1 0 0 0 0 30 31 2 0 0 0 0 31 1 1 0 0 0 0 12 16 1 1 0 0 0 29 32 1 0 0 0 0 4 5 2 0 0 0 0 32 33 1 0 0 0 0 13 17 1 0 0 0 0 32 34 1 0 0 0 0 8 9 1 0 0 0 0 27 35 1 0 0 0 0 17 18 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 17 19 2 0 0 0 0 31 38 1 0 0 0 0 8 10 2 0 0 0 0 38 39 1 0 0 0 0 14 20 1 0 0 0 0 38 40 1 0 0 0 0 M END $$$$ -ISIS- 04110309442D 36 38 0 0 0 0 0 0 0 0999 V2000 0.2117 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1964 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 19 2 0 0 0 0 8 10 2 0 0 0 0 14 20 1 0 0 0 0 5 6 1 0 0 0 0 20 21 1 0 0 0 0 6 11 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 3 4 1 0 0 0 0 20 23 1 0 0 0 0 11 12 1 6 0 0 0 23 24 1 0 0 0 0 6 7 2 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 17 1 1 0 0 0 0 7 2 1 0 0 0 0 1 27 2 0 0 0 0 12 14 1 0 0 0 0 27 28 1 0 0 0 0 2 3 2 0 0 0 0 28 29 2 0 0 0 0 14 15 2 0 0 0 0 29 30 1 0 0 0 0 4 8 1 0 0 0 0 30 31 2 0 0 0 0 31 1 1 0 0 0 0 12 16 1 1 0 0 0 27 32 1 0 0 0 0 4 5 2 0 0 0 0 31 33 1 0 0 0 0 13 17 1 0 0 0 0 30 34 1 0 0 0 0 8 9 1 0 0 0 0 29 35 1 0 0 0 0 17 18 2 0 0 0 0 35 36 1 0 0 0 0 M END $$$$ -ISIS- 04110308502D 39 42 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6250 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 17 20 1 0 0 0 0 20 23 2 0 0 0 0 5 10 1 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 22 20 1 0 0 0 0 10 11 1 6 0 0 0 27 23 1 0 0 0 0 5 6 2 0 0 0 0 15 24 1 0 0 0 0 11 12 1 0 0 0 0 15 25 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 13 15 1 0 0 0 0 30 31 1 0 0 0 0 31 26 2 0 0 0 0 24 33 1 0 0 0 0 3 4 2 0 0 0 0 25 32 1 0 0 0 0 34 32 1 0 0 0 0 11 16 1 1 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 12 17 1 0 0 0 0 24 35 1 1 0 0 0 35 36 2 0 0 0 0 17 18 2 0 0 0 0 35 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 17 19 2 0 0 0 0 34 39 1 6 0 0 0 M END $$$$ -ISIS- 04110309172D 32 34 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4292 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 7 9 2 0 0 0 0 13 19 1 0 0 0 0 4 5 1 0 0 0 0 16 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 2 3 1 0 0 0 0 24 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 29 24 2 0 0 0 0 3 7 1 0 0 0 0 19 30 1 0 0 0 0 11 15 1 1 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 30 32 1 0 0 0 0 M END $$$$ -ISIS- 04110309192D 41 45 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4819 -2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -0.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -4.3875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 10 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 2 3 1 0 0 0 0 24 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 29 24 2 0 0 0 0 3 7 1 0 0 0 0 19 30 1 0 0 0 0 11 15 1 1 0 0 0 19 31 1 0 0 0 0 30 33 1 0 0 0 0 34 32 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 12 16 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 16 17 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 16 18 2 0 0 0 0 36 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 13 19 1 0 0 0 0 31 39 1 0 0 0 0 4 5 1 0 0 0 0 39 40 2 0 0 0 0 16 20 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 41 -1 M END $$$$ -ISIS- 04110309192D 38 42 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 -0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2492 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0153 -0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 19 1 0 0 0 0 4 5 1 0 0 0 0 16 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 2 3 1 0 0 0 0 24 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 29 24 2 0 0 0 0 19 33 1 0 0 0 0 3 7 1 0 0 0 0 19 30 1 0 0 0 0 11 15 1 1 0 0 0 34 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 1 0 0 0 0 30 32 1 0 0 0 0 12 16 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 16 17 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 16 18 2 0 0 0 0 36 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 M END $$$$ -ISIS- 04110309202D 33 35 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 7 9 2 0 0 0 0 13 19 1 0 0 0 0 4 5 1 0 0 0 0 16 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 2 3 1 0 0 0 0 24 22 1 0 0 0 0 10 11 1 6 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 11 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 2 0 0 0 0 28 29 1 0 0 0 0 29 24 2 0 0 0 0 3 7 1 0 0 0 0 19 30 1 0 0 0 0 11 15 1 1 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 1 0 0 0 0 12 16 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$ -ISIS- 04110308522D 38 41 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 19 1 0 0 0 0 19 22 2 0 0 0 0 4 5 1 0 0 0 0 23 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 2 0 0 0 0 21 19 1 0 0 0 0 2 3 1 0 0 0 0 24 22 1 0 0 0 0 10 11 1 6 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 11 13 1 0 0 0 0 26 27 2 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 28 23 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 11 15 1 1 0 0 0 29 31 1 0 0 0 0 3 4 2 0 0 0 0 30 32 1 0 0 0 0 12 16 1 0 0 0 0 31 33 1 0 0 0 0 7 8 1 0 0 0 0 32 34 1 0 0 0 0 33 34 1 0 0 0 0 16 17 2 0 0 0 0 32 35 1 1 0 0 0 35 36 2 0 0 0 0 16 18 2 0 0 0 0 35 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 M END $$$$ -ISIS- 04110309452D 43 45 0 0 0 0 0 0 0 0999 V2000 0.2117 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1964 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -0.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3792 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -3.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9250 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -1.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 3 4 1 0 0 0 0 20 23 1 0 0 0 0 11 12 1 6 0 0 0 23 24 1 0 0 0 0 6 7 2 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 17 1 1 0 0 0 0 7 2 1 0 0 0 0 1 27 2 0 0 0 0 12 14 1 0 0 0 0 27 28 1 0 0 0 0 2 3 2 0 0 0 0 28 29 2 0 0 0 0 14 15 2 0 0 0 0 29 30 1 0 0 0 0 4 8 1 0 0 0 0 30 31 2 0 0 0 0 31 1 1 0 0 0 0 12 16 1 1 0 0 0 26 32 2 0 0 0 0 4 5 2 0 0 0 0 26 33 1 0 0 0 0 13 17 1 0 0 0 0 33 34 1 0 0 0 0 8 9 1 0 0 0 0 27 35 1 0 0 0 0 17 18 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 17 19 2 0 0 0 0 31 38 1 0 0 0 0 8 10 2 0 0 0 0 38 39 1 0 0 0 0 14 20 1 0 0 0 0 38 40 1 0 0 0 0 5 6 1 0 0 0 0 29 41 1 0 0 0 0 20 21 1 0 0 0 0 41 42 1 0 0 0 0 6 11 1 0 0 0 0 41 43 1 0 0 0 0 M END $$$$ -ISIS- 04110308542D 38 41 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -2.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 19 1 0 0 0 0 19 22 2 0 0 0 0 4 5 1 0 0 0 0 23 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 2 0 0 0 0 21 19 1 0 0 0 0 2 3 1 0 0 0 0 24 22 1 0 0 0 0 10 11 1 6 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 11 13 1 0 0 0 0 26 27 2 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 28 23 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 1 0 0 0 0 11 15 1 1 0 0 0 29 31 1 0 0 0 0 3 4 2 0 0 0 0 30 32 1 0 0 0 0 12 16 1 0 0 0 0 31 33 1 0 0 0 0 7 8 1 0 0 0 0 32 34 1 0 0 0 0 33 34 1 0 0 0 0 16 17 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 16 18 2 0 0 0 0 35 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 M END $$$$ -ISIS- 04110309462D 37 39 0 0 0 0 0 0 0 0999 V2000 0.2117 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1964 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 19 2 0 0 0 0 8 10 2 0 0 0 0 14 20 1 0 0 0 0 5 6 1 0 0 0 0 20 21 1 0 0 0 0 6 11 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 3 4 1 0 0 0 0 20 23 1 0 0 0 0 11 12 1 6 0 0 0 23 24 1 0 0 0 0 6 7 2 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 17 1 1 0 0 0 0 7 2 1 0 0 0 0 1 27 2 0 0 0 0 12 14 1 0 0 0 0 27 28 1 0 0 0 0 2 3 2 0 0 0 0 28 29 2 0 0 0 0 14 15 2 0 0 0 0 29 30 1 0 0 0 0 4 8 1 0 0 0 0 30 31 2 0 0 0 0 31 1 1 0 0 0 0 12 16 1 1 0 0 0 26 32 2 0 0 0 0 4 5 2 0 0 0 0 26 33 1 0 0 0 0 13 17 1 0 0 0 0 33 34 1 0 0 0 0 8 9 1 0 0 0 0 27 35 1 0 0 0 0 17 18 2 0 0 0 0 31 36 1 0 0 0 0 29 37 1 0 0 0 0 M END $$$$ -ISIS- 04110309272D 42 46 0 0 0 0 0 0 0 0999 V2000 4.0220 -2.2961 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 -3.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8689 -3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 -1.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -4.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 25 1 0 0 0 0 6 11 1 0 0 0 0 24 22 1 0 0 0 0 3 4 1 0 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 11 12 1 6 0 0 0 6 7 2 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 2 0 0 0 0 7 2 1 0 0 0 0 26 27 1 0 0 0 0 12 14 1 0 0 0 0 27 28 2 0 0 0 0 2 3 2 0 0 0 0 28 29 1 0 0 0 0 29 24 2 0 0 0 0 14 1 1 0 0 0 0 14 15 2 0 0 0 0 1 30 1 0 0 0 0 30 32 1 0 0 0 0 4 8 1 0 0 0 0 1 31 1 0 0 0 0 31 33 1 0 0 0 0 12 16 1 1 0 0 0 34 32 1 0 0 0 0 4 5 2 0 0 0 0 13 17 1 0 0 0 0 33 34 2 0 0 0 0 8 9 1 0 0 0 0 34 35 1 0 0 0 0 17 18 2 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 17 19 2 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 8 10 2 0 0 0 0 30 39 1 6 0 0 0 17 20 1 0 0 0 0 39 40 2 0 0 0 0 5 6 1 0 0 0 0 39 41 1 0 0 0 0 20 21 2 0 0 0 0 41 42 1 0 0 0 0 M END $$$$ -ISIS- 04110309212D 43 47 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -2.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0