ChEBI Marvin 11171016172D 32 31 0 0 0 0 999 V2000 22.1470 -14.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8605 -14.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2875 -13.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2894 -14.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0049 -14.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5760 -14.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5779 -15.7631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4316 -14.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4296 -13.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0026 -14.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3185 -14.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5737 -14.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2909 -15.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7144 -13.2947 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.0008 -13.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7181 -14.9448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1431 -10.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8574 -11.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2860 -12.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2864 -11.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0011 -10.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5721 -10.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5725 -9.9960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4285 -11.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4281 -12.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9996 -11.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3146 -10.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5706 -11.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2855 -9.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7136 -12.4697 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.9993 -12.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7142 -10.8197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16 8 1 0 0 0 0 8 1 1 0 0 0 0 1 2 1 0 0 0 0 2 6 1 0 0 0 0 6 4 1 0 0 0 0 4 3 2 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 10 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 12 1 0 0 0 0 15 14 1 0 0 0 0 32 24 1 0 0 0 0 24 17 1 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 22 20 1 0 0 0 0 20 19 2 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 26 32 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 27 28 1 0 0 0 0 31 30 1 0 0 0 0 30 14 1 0 0 0 0 M END