-ISIS- 04110312562D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.8409 -9.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8438 -10.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -10.7822 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.2681 -9.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 -10.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -10.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 -9.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 -9.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4234 -10.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 -10.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 -10.3737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -9.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 -9.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -11.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -11.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2958 -8.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -9.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -8.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 2 0 0 0 0 8 1 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ -ISIS- 04110312562D 20 22 0 0 0 0 0 0 0 0999 V2000 -2.8409 -9.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8438 -10.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -10.7822 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.2681 -9.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 -10.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -10.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 -9.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 -9.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4234 -10.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 -10.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 -10.3737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -9.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 -9.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -11.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -11.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2958 -8.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -9.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -8.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 2 0 0 0 0 8 1 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ -ISIS- 04110312582D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.5242 -8.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 -9.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -10.0364 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.9514 -8.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9526 -9.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2378 -10.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -8.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1002 -8.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 -9.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 -10.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 -9.6279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 -8.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -8.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 -10.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -7.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5708 -7.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 -8.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -8.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -8.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 -7.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3924 -7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -6.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -6.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -8.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -9.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110312592D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.2534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -9.8489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -8.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 8 1 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ -ISIS- 04110313002D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.2534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -9.8489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -8.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5958 -8.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 8 1 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M END $$$$ -ISIS- 04110313012D 20 22 0 0 0 0 0 0 0 0999 V2000 -2.2534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -9.8489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -8.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -8.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 8 1 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ -ISIS- 04110313012D 17 19 0 0 0 0 0 0 0 0999 V2000 -2.2534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -9.8489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 M END $$$$ -ISIS- 04110313022D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.2534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -9.8489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 8 1 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ -ISIS- 04110313022D 20 22 0 0 0 0 0 0 0 0999 V2000 -2.2534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -9.8489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -7.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 8 1 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 16 20 2 0 0 0 0 M END $$$$ -ISIS- 04110313022D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.2534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -9.8489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -10.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -8.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 8 1 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ -ISIS- 04110313032D 26 30 0 0 0 0 0 0 0 0999 V2000 1.2175 -1.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -2.9406 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2098 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2109 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5039 -2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 -1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -2.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 -2.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 -2.5320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 -1.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -3.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -0.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1708 0.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 -1.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 -1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9308 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313042D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.1825 -9.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -10.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -10.6614 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6098 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -10.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -9.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -10.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -10.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -10.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -11.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2292 -7.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -9.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -8.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -7.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -7.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -6.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -8.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -10.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313042D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.1825 -9.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -10.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -10.6614 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6098 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -10.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -9.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -10.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -10.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -10.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -11.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2292 -7.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -9.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -8.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -7.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -7.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -6.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -10.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313042D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.1825 -9.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -10.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -10.6614 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6098 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -10.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -9.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -10.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -10.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -10.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -11.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2292 -7.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -9.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -8.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -7.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -7.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -6.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -8.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -10.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313052D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.1825 -9.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -10.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -10.6614 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6098 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -10.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -9.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -10.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -10.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -10.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -11.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2292 -7.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -9.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -8.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -7.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -7.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -6.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -8.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -10.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313052D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.1825 -9.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -10.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -10.6614 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6098 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -10.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -9.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -10.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -10.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -10.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -11.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2292 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -9.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -8.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -7.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -7.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -6.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -8.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -10.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313052D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.1825 -9.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -10.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -10.6614 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6098 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -10.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -9.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -10.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -10.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -10.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -11.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -8.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2292 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -9.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -8.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 -7.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -7.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -6.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -8.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -10.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313062D 22 26 0 0 0 0 0 0 0 0999 V2000 -2.9325 -10.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 -11.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -11.6281 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.3598 -10.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 -11.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 -11.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6479 -9.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 -10.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -11.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 -11.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -11.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -10.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 -9.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -12.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 -9.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9792 -8.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -9.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 -9.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -10.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9992 -9.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -8.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 -8.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 M END $$$$ -ISIS- 04110313072D 16 18 0 0 0 0 0 0 0 0999 V2000 -4.0617 -4.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 -5.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -5.7906 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -5.4889 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4901 -5.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 -5.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7771 -4.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6377 -4.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 -5.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -5.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 -5.3820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 -4.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -4.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 -6.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9417 -6.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -4.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ -ISIS- 04110313082D 22 24 0 0 0 0 0 0 0 0999 V2000 -1.8742 -6.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 -7.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -8.0072 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.3014 -6.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3026 -7.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 -8.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5896 -6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 -6.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 -7.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2505 -8.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 -7.5987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 -6.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 -6.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -8.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -8.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3875 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 2 0 0 0 0 8 1 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 1 0 0 0 0 1 2 1 0 0 0 0 19 21 1 0 0 0 0 9 10 1 0 0 0 0 19 22 1 0 0 0 0 M END $$$$ -ISIS- 04110313082D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.7534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -10.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 5 2 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 1 6 2 0 0 0 0 11 13 1 0 0 0 0 2 14 1 0 0 0 0 6 3 1 0 0 0 0 8 14 1 0 0 0 0 1 2 1 0 0 0 0 13 15 2 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 7 1 1 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 14 19 2 0 0 0 0 M END $$$$ -ISIS- 04110313092D 21 23 0 0 0 0 0 0 0 0999 V2000 -2.7534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -10.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -11.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 -12.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 2 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 1 6 2 0 0 0 0 11 13 1 0 0 0 0 2 14 1 0 0 0 0 6 3 1 0 0 0 0 8 14 1 0 0 0 0 1 2 1 0 0 0 0 13 15 2 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 7 1 1 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 14 19 2 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 9 10 2 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ -ISIS- 04110313092D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.7534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -9.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 5 2 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 1 6 2 0 0 0 0 11 13 1 0 0 0 0 2 14 1 0 0 0 0 6 3 1 0 0 0 0 8 14 1 0 0 0 0 1 2 1 0 0 0 0 13 15 2 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 7 1 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ -ISIS- 04110313102D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.7534 -8.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 -9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4669 -9.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -8.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -9.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 -9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -9.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -8.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 -8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -9.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -8.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 5 2 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 1 6 2 0 0 0 0 11 13 1 0 0 0 0 2 14 1 0 0 0 0 6 3 1 0 0 0 0 8 14 1 0 0 0 0 1 2 1 0 0 0 0 13 15 2 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 7 1 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ -ISIS- 04110313102D 21 24 0 0 0 0 0 0 0 0999 V2000 -0.9383 -9.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -10.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 -9.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -9.1485 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5986 -9.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -10.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -11.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -9.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 -9.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 -10.0568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8984 -10.8643 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2885 -11.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -11.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 -8.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -7.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -6.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 -7.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 -7.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 2 0 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 2 2 0 0 0 0 1 10 1 0 0 0 0 6 7 2 0 0 0 0 3 14 2 0 0 0 0 7 11 1 0 0 0 0 4 15 1 0 0 0 0 2 3 1 0 0 0 0 15 16 2 0 0 0 0 10 8 1 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 17 18 2 0 0 0 0 8 9 2 0 0 0 0 18 19 1 0 0 0 0 9 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 4 5 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ -ISIS- 04110313102D 21 24 0 0 0 0 0 0 0 0999 V2000 -0.9383 -9.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -10.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 -9.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -9.1485 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5986 -9.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -10.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -11.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -9.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 -9.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 -10.0568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8984 -10.8643 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2885 -11.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -11.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 -8.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -7.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -6.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 -7.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 -7.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -6.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 1 2 0 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 2 2 0 0 0 0 1 10 1 0 0 0 0 6 7 2 0 0 0 0 3 14 2 0 0 0 0 7 11 1 0 0 0 0 4 15 1 0 0 0 0 2 3 1 0 0 0 0 15 16 2 0 0 0 0 10 8 1 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 17 18 2 0 0 0 0 8 9 2 0 0 0 0 18 19 1 0 0 0 0 9 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 4 5 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ -ISIS- 04110313112D 22 25 0 0 0 0 0 0 0 0999 V2000 -0.9383 -9.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -10.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 -9.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -9.1485 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5986 -9.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -10.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -11.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -9.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 -9.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 -10.0568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8984 -10.8643 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2885 -11.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -11.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 -8.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -7.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -6.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 -7.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 -7.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 2 2 0 0 0 0 1 10 1 0 0 0 0 6 7 2 0 0 0 0 3 14 2 0 0 0 0 7 11 1 0 0 0 0 4 15 1 0 0 0 0 2 3 1 0 0 0 0 15 16 2 0 0 0 0 10 8 1 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 17 18 2 0 0 0 0 8 9 2 0 0 0 0 18 19 1 0 0 0 0 9 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 4 5 1 0 0 0 0 18 21 1 0 0 0 0 5 1 2 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ -ISIS- 04110313112D 27 31 0 0 0 0 0 0 0 0999 V2000 -2.1492 -9.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1522 -10.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -10.9739 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.5764 -9.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5776 -10.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 -10.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 -9.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -9.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7317 -10.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -10.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6897 -10.5654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 -9.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 -9.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -11.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -8.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1958 -8.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 -9.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -9.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -8.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7674 -7.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -7.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -9.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -10.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 5 6 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$ -ISIS- 04110313122D 26 30 0 0 0 0 0 0 0 0999 V2000 -2.1492 -9.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1522 -10.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -10.9739 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.5764 -9.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5776 -10.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 -10.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 -9.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -9.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7317 -10.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -10.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6897 -10.5654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 -9.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 -9.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -11.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -8.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1958 -8.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 -9.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -9.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -8.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7674 -7.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -7.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -9.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -10.3250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 12 18 1 0 0 0 0 3 9 1 0 0 0 0 13 15 1 0 0 0 0 17 15 1 0 0 0 0 1 7 2 0 0 0 0 15 16 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 21 24 1 0 0 0 0 2 3 1 0 0 0 0 20 25 1 0 0 0 0 11 12 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ -ISIS- 04110313122D 16 18 0 0 0 0 0 0 0 0999 V2000 -2.0325 -8.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 -8.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4598 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -8.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -9.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -7.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -8.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -9.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -8.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -7.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -7.6958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ -ISIS- 04110313132D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.0325 -8.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 -8.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4598 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -8.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -9.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -7.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -8.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -9.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -8.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -7.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -7.6958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2402 -8.1025 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5133 -6.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 1 7 2 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 G 16 12 NO2 M CHG 2 16 1 17 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 16 17 18 M SBL 1 1 15 M SMT 1 NO2 M SBV 1 15 -0.7200 -0.4200 M END $$$$ -ISIS- 04110313142D 22 24 0 0 0 0 0 0 0 0999 V2000 -2.0325 -8.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 -8.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4598 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -8.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -9.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -7.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -8.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -9.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -8.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -7.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -6.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -6.8083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3375 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -6.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 2 0 0 0 0 8 1 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 1 0 0 0 0 1 2 1 0 0 0 0 19 21 1 0 0 0 0 9 10 1 0 0 0 0 19 22 1 0 0 0 0 M END $$$$ -ISIS- 04110313142D 20 22 0 0 0 0 0 0 0 0999 V2000 -2.0325 -8.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 -8.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4598 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -8.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -9.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -7.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -8.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -9.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -8.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -7.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -10.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -6.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -6.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -10.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 16 17 2 0 0 0 0 8 1 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 15 20 1 0 0 0 0 M END $$$$ -ISIS- 04110313152D 17 19 0 0 0 0 0 0 0 0999 V2000 -2.0325 -8.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 -8.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4598 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -8.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -9.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -7.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -8.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -9.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -8.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -7.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -10.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -10.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 7 4 1 0 0 0 0 15 17 1 0 0 0 0 M END $$$$ -ISIS- 04110313152D 16 18 0 0 0 0 0 0 0 0999 V2000 -2.0325 -8.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 -8.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3489 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4598 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -8.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -9.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -7.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -8.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -9.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -8.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -7.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -10.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -10.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 8 9 2 0 0 0 0 1 2 1 0 0 0 0 9 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 2 2 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 10 15 1 0 0 0 0 1 7 2 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ -ISIS- 04110313182D 20 22 0 0 0 0 0 0 0 0999 V2000 -0.2120 -8.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 -7.6945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 -6.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -7.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 -6.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -7.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6331 -8.1070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 -6.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 -6.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3566 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -5.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 -6.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 11 2 0 0 0 0 4 11 1 0 0 0 0 1 2 2 0 0 0 0 3 5 1 0 0 0 0 10 1 1 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 14 12 1 0 0 0 0 12 13 1 0 0 0 0 5 6 2 0 0 0 0 2 3 1 0 0 0 0 14 15 2 0 0 0 0 5 7 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 3 4 2 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 8 9 1 0 0 0 0 12 20 2 0 0 0 0 M END $$$$ -ISIS- 04110313172D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.3367 -6.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 -7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7639 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 -7.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0503 -8.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0521 -6.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9127 -6.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9192 -7.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -8.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 -7.6945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 -6.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -8.0917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 5 2 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 1 6 2 0 0 0 0 11 13 1 0 0 0 0 2 14 1 0 0 0 0 6 3 1 0 0 0 0 8 14 1 0 0 0 0 1 2 1 0 0 0 0 13 15 2 0 0 0 0 3 4 2 0 0 0 0 13 16 1 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 7 1 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$