B5I7BM -OEChem-04042103143D 39 40 0 1 0 0 0 0 0999 V2000 1.6348 2.0318 0.6351 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3036 1.9285 -0.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 1.7331 2.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 3.3125 0.2413 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6397 -2.6903 0.6319 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7983 -0.3216 -0.3837 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 1.7497 -0.2323 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5753 0.8277 1.2809 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 -0.2124 -0.7199 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6412 -1.6562 -0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7305 -2.4724 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 -1.7118 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 0.7684 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 0.4581 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9772 0.3691 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 0.7834 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.4760 0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4828 1.0574 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 -1.4611 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 0.0720 -1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 -1.1872 -1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 -2.9026 1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3354 0.4158 -1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4197 -1.9112 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7026 -1.8538 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 -2.4654 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 -3.5134 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 -2.0411 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -1.8053 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 -0.2222 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 0.0274 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0622 2.2608 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 -0.6457 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 2.0285 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 0.2845 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 -1.9508 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 -3.9317 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -2.8192 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 -2.2476 2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 13 2 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 32 1 0 0 0 0 8 15 3 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$