-ISIS- 04110309062D 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 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 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 2 0 0 0 0 7 9 2 0 0 0 0 35 38 1 0 0 0 0 M END $$$$ -ISIS- 04110310112D 34 36 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 1 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 1.9250 -1.5125 0.0000 N 0 0 3 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 4.6042 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 -0.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1334 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6065 -0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 -1.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 7 9 2 0 0 0 0 15 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 2 0 0 0 0 5 10 1 0 0 0 0 19 21 2 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 2 0 0 0 0 23 27 1 0 0 0 0 5 6 2 0 0 0 0 26 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 25 22 1 0 0 0 0 6 1 1 0 0 0 0 12 13 2 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 11 14 1 1 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 11 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 17 32 1 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 1 0 0 0 0 M END $$$$ -ISIS- 04110310132D 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 1 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 1.9250 -1.5125 0.0000 N 0 0 3 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 1.9208 -0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1334 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 -0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1416 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3718 -0.0865 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 5.2542 -1.5792 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 5.2458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -3.0042 0.0000 C 0 0 0 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 4 5 1 0 0 0 0 18 20 2 0 0 0 0 5 10 1 0 0 0 0 18 21 1 0 0 0 0 21 26 1 0 0 0 0 2 3 1 0 0 0 0 24 22 2 0 0 0 0 10 11 1 6 0 0 0 22 23 1 0 0 0 0 23 21 2 0 0 0 0 5 6 2 0 0 0 0 24 25 1 0 0 0 0 11 12 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 12 13 2 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 11 14 1 1 0 0 0 28 29 1 0 0 0 0 3 7 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 11 15 1 0 0 0 0 16 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 7 8 1 0 0 0 0 33 34 1 0 0 0 0 15 17 1 0 0 0 0 34 35 1 0 0 0 0 35 16 1 0 0 0 0 33 36 1 0 0 0 0 15 18 1 0 0 0 0 36 37 2 0 0 0 0 7 9 2 0 0 0 0 36 38 2 0 0 0 0 18 19 2 0 0 0 0 36 39 1 0 0 0 0 M END $$$$ -ISIS- 04110309072D 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 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 4.0167 -3.1208 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 5.4250 -3.7042 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 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -3.1167 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 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 31 32 1 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 30 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 33 1 0 0 0 0 M END $$$$ -ISIS- 04110309092D 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 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 5.6625 -2.2917 0.0000 N 0 3 3 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 6.4875 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -3.0875 0.0000 H 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 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 32 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 31 34 1 0 0 0 0 16 17 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 M CHG 1 33 1 M END $$$$ -ISIS- 04110309252D 33 36 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 4.2345 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -3.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 -1.8481 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 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 3 4 1 0 0 0 0 16 17 1 0 0 0 0 8 9 2 0 0 0 0 16 18 1 0 0 0 0 4 5 1 0 0 0 0 18 19 2 0 0 0 0 9 10 1 0 0 0 0 16 20 1 1 0 0 0 5 1 1 0 0 0 0 17 21 1 0 0 0 0 10 11 2 0 0 0 0 21 22 2 0 0 0 0 11 6 1 0 0 0 0 21 23 2 0 0 0 0 1 2 1 0 0 0 0 21 24 1 0 0 0 0 8 12 1 0 0 0 0 24 25 2 0 0 0 0 25 29 1 0 0 0 0 28 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 2 0 0 0 0 27 24 1 0 0 0 0 6 7 2 0 0 0 0 12 14 2 0 0 0 0 28 29 1 0 0 0 0 2 3 1 0 0 0 0 29 30 2 0 0 0 0 10 15 1 0 0 0 0 30 31 1 0 0 0 0 7 8 1 0 0 0 0 31 32 2 0 0 0 0 15 16 1 6 0 0 0 32 33 1 0 0 0 0 33 28 2 0 0 0 0 18 1 1 0 0 0 0 M END $$$$ -ISIS- 04110309102D 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 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 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 0 0 0 0 0 0 0 0 0 0 4.4250 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 0.1792 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 34 33 1 0 0 0 0 16 17 2 0 0 0 0 30 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- 04110310142D 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 1 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 1.9250 -1.5125 0.0000 N 0 0 3 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 1.9208 -0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -2.3333 0.0000 O 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 5.2542 -1.5792 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 5.2458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -2.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.4875 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 15 17 1 0 0 0 0 15 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 2 0 0 0 0 4 5 1 0 0 0 0 18 20 2 0 0 0 0 5 10 1 0 0 0 0 16 21 1 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 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 25 16 1 0 0 0 0 6 1 1 0 0 0 0 18 26 1 0 0 0 0 12 13 2 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 11 14 1 1 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 0 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- 04110309112D 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 5.2458 -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 0 0 0 0 0 0 0 0 0 0 5.6625 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 0.0708 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 34 33 1 0 0 0 0 16 17 2 0 0 0 0 32 35 1 1 0 0 0 36 35 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- 04110310152D 44 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 1 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 1.9250 -1.5125 0.0000 N 0 0 3 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 1.9208 -0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -2.3333 0.0000 O 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 5.2542 -1.5792 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 5.2458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -2.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.4875 0.0000 C 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 -0.1375 0.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2708 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -3.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 -3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6167 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 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 25 16 1 0 0 0 0 6 1 1 0 0 0 0 18 26 1 0 0 0 0 12 13 2 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 11 14 1 1 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 0 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 23 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 2 0 0 0 0 15 17 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 15 18 1 0 0 0 0 27 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 1 0 0 0 0 18 19 2 0 0 0 0 37 39 1 0 0 0 0 4 5 1 0 0 0 0 31 40 1 0 0 0 0 18 20 2 0 0 0 0 40 41 1 0 0 0 0 5 10 1 0 0 0 0 40 42 1 0 0 0 0 16 21 1 0 0 0 0 32 43 1 0 0 0 0 2 3 1 0 0 0 0 32 44 1 0 0 0 0 M END $$$$ -ISIS- 04110309112D 44 48 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 5.2458 -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 0 0 0 0 0 0 0 0 0 0 5.6625 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1023 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9265 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3399 0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1001 0.7824 0.0000 C 0 0 0 0 0 0 0 0 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 34 33 1 0 0 0 0 16 17 2 0 0 0 0 32 35 1 1 0 0 0 36 35 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 16 19 1 0 0 0 0 38 39 1 0 0 0 0 19 22 2 0 0 0 0 39 40 2 0 0 0 0 4 5 1 0 0 0 0 40 41 1 0 0 0 0 23 20 1 0 0 0 0 41 42 2 0 0 0 0 5 10 1 0 0 0 0 42 43 1 0 0 0 0 20 21 2 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 M END $$$$ -ISIS- 04110309122D 40 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 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 5.2458 -3.0042 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 6.8981 -3.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7224 -3.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1357 -2.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7188 -1.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8959 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 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 34 33 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 36 37 1 0 0 0 0 7 9 2 0 0 0 0 37 38 2 0 0 0 0 16 19 1 0 0 0 0 38 39 1 0 0 0 0 19 22 2 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 M END $$$$ -ISIS- 04110309132D 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 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 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 5.2542 -1.5792 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 5.6625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 0.6333 0.0000 C 0 0 0 0 0 0 0 0 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 34 33 1 0 0 0 0 16 17 2 0 0 0 0 32 35 1 1 0 0 0 30 36 1 1 0 0 0 16 18 2 0 0 0 0 36 37 2 0 0 0 0 7 9 2 0 0 0 0 36 38 1 0 0 0 0 16 19 1 0 0 0 0 38 39 1 0 0 0 0 M END $$$$ -ISIS- 04110309132D 40 43 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 5.2458 -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 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 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -3.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8208 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 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 34 33 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 16 19 1 0 0 0 0 38 39 1 0 0 0 0 19 22 2 0 0 0 0 38 40 1 0 0 0 0 M END $$$$ -ISIS- 04110310152D 37 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 1 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 1.9250 -1.5125 0.0000 N 0 0 3 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 1.9208 -0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -2.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -3.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.1208 0.0000 H 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 -0.7292 -3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9167 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 0.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2708 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 9 2 0 0 0 0 18 19 2 0 0 0 0 4 5 1 0 0 0 0 18 20 2 0 0 0 0 5 10 1 0 0 0 0 18 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 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 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 26 21 1 0 0 0 0 12 13 2 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 11 14 1 1 0 0 0 16 29 1 0 0 0 0 3 7 1 0 0 0 0 16 30 1 0 0 0 0 11 15 1 0 0 0 0 27 31 1 0 0 0 0 3 4 2 0 0 0 0 24 32 1 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 32 34 1 0 0 0 0 15 17 1 0 0 0 0 22 35 1 0 0 0 0 35 36 1 0 0 0 0 15 18 1 0 0 0 0 35 37 1 0 0 0 0 M END $$$$ -ISIS- 04110310162D 29 30 0 0 0 0 0 0 0 0999 V2000 0.3777 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -4.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -5.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3083 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -1.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0208 -2.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9208 -0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -2.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 11 15 1 0 0 0 0 3 4 2 0 0 0 0 12 16 1 0 0 0 0 7 8 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 2 0 0 0 0 4 5 1 0 0 0 0 18 20 2 0 0 0 0 5 10 1 0 0 0 0 18 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 10 11 1 6 0 0 0 22 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 12 13 2 0 0 0 0 16 27 1 0 0 0 0 1 2 2 0 0 0 0 16 28 1 0 0 0 0 11 14 1 1 0 0 0 24 29 1 0 0 0 0 M END $$$$