B3HSA7 -OEChem-04022104213D 43 45 0 0 0 0 0 0 0999 V2000 3.3602 1.8787 0.3379 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 -2.7427 0.0657 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 -2.4780 -0.9823 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 -2.5457 1.1968 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 2.1809 1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 2.3140 -0.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 1.6892 -0.3357 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7235 2.3816 0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 0.5506 1.2944 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -2.9682 -0.4955 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 -1.8628 1.2936 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 1.7732 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 2.1069 -0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5663 3.0199 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 0.9242 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 0.4875 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 2.9206 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 0.1183 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9194 -0.7493 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4684 -0.6060 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5076 -1.8596 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -1.2220 -1.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 -2.1067 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -0.6126 1.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 -2.5920 -1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 1.6503 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1456 2.0559 -1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 3.4478 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 3.8275 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 0.0103 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4122 0.7106 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3433 2.4777 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2992 3.3162 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 2.7248 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 3.6924 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -0.1870 1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 -0.0971 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0178 -0.2758 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 -0.3520 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 -0.6583 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1286 -0.5277 2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 -3.9165 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 -3.3301 -2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 0 0 0 0 9 16 2 0 0 0 0 9 24 1 0 0 0 0 10 21 1 0 0 0 0 10 25 1 0 0 0 0 10 42 1 0 0 0 0 11 21 1 0 0 0 0 11 24 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 22 25 2 0 0 0 0 22 40 1 0 0 0 0 24 41 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$