ChEBI Marvin 12220911572D 31 32 0 0 0 0 999 V2000 12.3986 -11.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 -10.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6841 -12.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9696 -11.7615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6841 -10.5240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9696 -10.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1131 -12.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6842 -12.9990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2552 -10.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8276 -10.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6122 -10.6816 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6122 -12.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8672 -12.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0971 -11.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9221 -11.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3346 -10.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1596 -10.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8276 -11.7615 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.4151 -10.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8276 -9.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5901 -10.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4151 -8.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6245 -9.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8741 -11.0470 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.5886 -10.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8741 -11.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3030 -11.0470 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.3030 -11.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0175 -10.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0876 -10.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5166 -10.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 18 7 1 0 0 0 0 11 10 1 0 0 0 0 18 10 2 0 0 0 0 11 14 1 0 0 0 0 14 12 2 0 0 0 0 12 18 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 24 30 1 0 0 0 0 27 31 1 0 0 0 0 M CHG 1 18 1 M END