RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 2.8819 4.2230 0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 3.4199 1.4671 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 1.8048 0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 1.8829 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6102 -1.6498 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1281 0.2700 -1.9654 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3718 -1.1437 -1.4343 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9992 -1.7806 -1.2821 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8951 -0.6425 -0.9631 N 0 0 0 0 0 4 0 0 0 0 0 0 1.1389 -2.9670 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8211 -4.2451 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 -5.3741 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 -5.2452 1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 -3.9881 1.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 -2.8627 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 -1.6240 1.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 -0.9204 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3567 -1.7671 0.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 0.3405 -0.2437 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 1.1011 -1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3174 2.2933 -1.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6316 0.8860 0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 0.5781 2.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 1.1710 3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 2.0764 2.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4802 2.3706 1.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 1.7706 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1202 1.9481 -1.0110 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0509 0.9582 -1.7581 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5989 3.0460 -1.3270 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0812 0.7580 -3.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 -0.0897 -3.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 1.5919 -3.8477 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9958 5.1715 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 3.5938 1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8433 4.4346 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 1.2330 0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 1.2896 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 2.1231 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 2.7294 -1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 0.3014 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 -1.7250 -2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3283 -2.1045 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.6082 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 -0.7952 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -4.3786 -1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6759 -6.3563 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4189 -6.1270 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -3.9108 2.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 -1.7358 2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -0.0976 2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0899 0.9307 4.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 2.5371 3.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2934 3.0441 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 7 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 19 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 30 1 0 5 31 1 0 31 32 2 0 31 33 1 0 9 5 1 0 20 6 1 0 15 10 1 0 27 22 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 6 41 1 6 7 42 1 6 8 43 1 6 9 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 14 49 1 0 16 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 M CHG 4 9 1 28 1 30 -1 33 -1 M END