RDKit 3D 51 55 0 0 0 0 0 0 0 0999 V2000 -4.5993 1.3960 -1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 1.6986 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5393 0.7924 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1186 -0.4078 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 -0.7313 -1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1972 0.1820 -2.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -1.3628 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0259 -2.2592 1.1751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 -1.2001 0.7773 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -1.8222 1.9972 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9096 -2.6455 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 -1.9497 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 -2.1379 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1406 -2.9918 0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -2.9114 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -1.9964 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -1.1353 -1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -1.2293 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 -0.5127 -0.9866 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -0.9490 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1584 -0.4034 -0.1556 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1841 1.1126 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.7536 1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 3.1449 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2456 3.9334 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7647 3.3138 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7232 1.9190 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3635 4.1306 -1.9267 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6025 5.3221 -1.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 3.5904 -3.0220 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.1692 -0.8455 3.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -0.9649 3.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 -0.0183 3.3821 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1735 2.1051 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 2.6361 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 1.0110 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 -1.6865 -1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4654 -0.0539 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0599 -2.5485 2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5002 -2.9008 2.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -3.5966 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 -3.6959 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2009 -3.5655 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6537 -1.9450 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 -0.4177 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 0.2425 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 -0.6279 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 1.1701 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 3.5969 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 5.0116 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 1.4500 -1.8993 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 4 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 28 30 1 0 10 31 1 0 31 32 2 0 31 33 1 0 6 1 1 0 21 9 1 0 20 12 2 0 18 13 1 0 27 22 1 0 1 34 1 0 2 35 1 0 3 36 1 0 5 37 1 0 6 38 1 0 10 39 1 1 11 40 1 0 11 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 19 46 1 0 21 47 1 6 23 48 1 0 24 49 1 0 25 50 1 0 27 51 1 0 M CHG 3 28 1 30 -1 33 -1 M END