RDKit 3D 50 52 0 0 0 0 0 0 0 0999 V2000 4.2254 -0.4596 1.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 0.1478 2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 0.6093 0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7285 0.4350 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4943 -0.1811 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 -0.6216 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 -0.3034 -1.9021 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 0.9453 -2.4883 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 0.7115 -3.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 2.2095 -1.9867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4268 0.5856 -1.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 1.3338 -0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 1.0075 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 -0.0492 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5734 -0.7682 -1.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -0.4526 -2.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2147 -0.3175 0.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1869 -1.2502 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 -2.0237 -1.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -1.3853 0.9033 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5591 -2.0480 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3653 -1.0629 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2539 0.2675 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3626 0.9055 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 -0.1191 1.6012 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8862 0.4155 2.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0616 0.0298 3.8089 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9643 1.1384 2.1460 O 0 0 0 0 0 1 0 0 0 0 0 0 7.5710 1.2497 1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6779 1.8841 2.3435 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 2.1814 0.2009 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 0.3374 1.1134 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -0.8025 2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8298 0.2688 3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2995 0.8023 -1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 -1.0977 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -0.6528 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 2.1517 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 1.5825 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 -1.5881 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -1.0283 -3.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3907 0.3139 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9657 -2.0845 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2469 -2.8760 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2243 -2.4860 0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0399 -1.4699 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8295 0.9350 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5294 1.4020 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9256 1.6926 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7618 -0.4150 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 14 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 3 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 6 1 1 0 16 11 1 0 25 20 1 0 1 33 1 0 2 34 1 0 4 35 1 0 6 36 1 0 7 37 1 0 12 38 1 0 13 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 20 43 1 1 21 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 25 50 1 1 M CHG 1 28 -1 M END