RDKit 3D 39 40 0 0 0 0 0 0 0 0999 V2000 4.5012 1.9800 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 1.2564 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0064 2.0234 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 1.4236 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 0.0452 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -0.7182 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -0.1528 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -0.9979 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 -2.0708 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 -2.2575 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4598 -3.3032 -0.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 -0.8615 -0.3569 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5519 -0.6780 0.7228 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9656 -0.3338 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5106 -1.4963 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 -0.2077 1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9422 0.9816 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 0.9856 -1.7698 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9562 2.1690 0.1144 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8863 1.8980 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2303 1.5639 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 3.0445 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0774 3.1102 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 2.0416 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -0.5295 0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1055 -1.9758 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8203 -1.1506 -0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 -2.8330 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9393 -0.7991 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5867 -1.5640 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 0.0374 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -1.6294 -1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5581 -1.3149 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 -2.4443 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8291 0.1306 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3859 0.5096 2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -1.1680 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 2.9874 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4957 2.2983 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 2 0 17 19 1 0 7 2 1 0 12 5 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 4 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 12 29 1 6 13 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 19 38 1 0 19 39 1 0 M CHG 1 13 1 M END