B4GNA9 -OEChem-04042107403D 41 43 0 1 0 0 0 0 0999 V2000 1.0135 0.7812 -0.7655 S 0 0 2 0 0 0 0 0 0 0 0 0 -8.1896 -0.2583 -0.8502 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.0971 1.5884 -0.4964 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8194 -1.5660 -0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3766 -0.3301 0.4654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 2.2964 -0.7668 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 -0.8854 -0.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 0.8960 -0.6848 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -0.7828 0.4637 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7964 1.7383 1.0401 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 0.2197 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6317 0.2594 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 -0.8235 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 0.2197 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 0.5398 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2165 0.4247 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0768 -1.7256 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 -0.3735 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0216 -0.4826 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 -1.5393 1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 -0.0317 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 1.1941 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1104 2.0357 0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0058 -1.8289 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9422 0.2569 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 -1.8228 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 0.7218 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -0.8552 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 1.7190 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 1.2712 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6531 -2.5498 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1104 -2.2319 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0918 1.4883 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 3.0030 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1611 -2.4330 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -0.9084 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9211 -2.4074 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 0.0651 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7421 -1.3016 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 -2.4742 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8202 -2.4396 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 25 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$