B4WNF9 -OEChem-04012115293D 43 46 0 1 0 0 0 0 0999 V2000 -2.1293 -1.4484 -0.4256 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 -3.0244 -0.1519 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 0.2747 -2.3852 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1355 2.5851 -1.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 -3.3080 0.8525 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -4.1066 -0.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0921 -0.5026 1.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9025 0.3442 0.5441 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0478 -2.1142 -1.4258 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0713 1.7918 1.0615 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7089 1.4048 -0.5370 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8759 1.5566 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7135 0.2519 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4709 1.2847 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -0.3610 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -0.3021 1.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -1.8437 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -1.1610 1.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6392 -0.8508 -1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 0.4421 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7821 -0.7965 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 1.6289 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 0.3233 -1.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 1.5608 -1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 0.5162 0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 2.9165 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 2.9376 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6558 1.2105 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5694 0.7963 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 2.5458 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 0.3563 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2431 -0.7074 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 2.2055 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 0.8708 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0159 2.4333 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 0.3227 2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.2687 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -2.0887 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -1.7124 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 2.4636 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 3.8304 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9025 1.8924 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 3.8613 0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 35 1 0 0 0 0 7 25 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 9 38 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$