RDKit 3D 49 50 0 0 0 0 0 0 0 0999 V2000 -6.4427 1.8663 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0914 0.6221 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2769 -0.3464 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7882 1.0824 1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8672 0.0292 -0.4274 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3519 -1.5264 0.0106 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8726 -2.4066 -1.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5796 -1.7589 1.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 -1.3685 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 -2.0405 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 -1.9101 -1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 -1.1193 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4869 -0.4538 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 -0.5764 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 -0.9105 -0.6338 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 -1.3925 -1.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 -2.4869 -2.7034 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -0.8820 -1.1688 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 0.0277 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4536 0.4759 0.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6509 0.4268 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 0.5037 -1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 0.8937 -1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3401 1.2170 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 1.1558 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 0.7661 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2007 1.5035 2.3668 N 0 0 0 0 0 4 0 0 0 0 0 0 7.5253 1.3483 3.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3647 1.9272 2.3462 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.6099 2.5792 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6618 1.5954 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3205 2.3846 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1213 -1.2178 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4515 -0.7150 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1960 0.1436 0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 0.2447 2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 1.6762 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8839 1.7009 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 0.0129 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -2.6695 -1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1368 -2.4479 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.1698 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -0.0579 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9283 -0.2814 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 -1.2812 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 0.2962 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3300 0.9567 -2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3857 1.5208 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6381 0.7229 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 27 29 1 0 14 9 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 18 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 26 49 1 0 M CHG 2 27 1 29 -1 M END