RDKit 3D 55 57 0 0 0 0 0 0 0 0999 V2000 3.5068 4.4976 3.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 4.5541 2.1953 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 3.6029 1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 2.5595 1.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 1.5810 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 1.6676 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0263 0.7002 -1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4097 0.9249 -2.6683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -0.5000 -1.2906 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7664 -1.5633 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 -2.1232 0.3016 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 -1.2370 0.3045 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5491 -2.0911 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 -3.4840 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -4.3237 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -3.7826 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9502 -4.6476 0.4255 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -6.0419 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -2.4353 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2311 -1.8598 0.1717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -0.4844 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 -1.6057 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1649 -0.2850 -0.7981 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1820 -0.2693 -1.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 -1.4461 -2.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 2.7197 -0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 3.6905 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 4.7539 -0.4221 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9432 4.9348 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 5.1649 4.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 4.7050 3.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 3.4483 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 2.4460 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4986 0.7746 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 -0.9434 -2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4886 -1.1071 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 -2.3297 -1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 -0.7273 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 -3.9128 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4249 -5.3828 0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0542 -6.1452 1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0966 -6.4316 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -6.6173 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8516 0.1077 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1473 -0.1462 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5350 -0.2314 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -0.5597 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 0.7556 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 0.4470 -2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 0.2996 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -1.5575 -2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 2.8464 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 5.3141 -2.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7706 5.7190 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3041 4.0394 -2.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 18 17 1 0 17 16 1 0 16 15 2 0 15 14 1 0 14 13 2 0 13 22 1 0 22 19 2 0 19 20 1 0 20 21 1 0 13 12 1 0 12 11 1 0 11 10 1 0 10 9 1 0 9 23 1 0 23 24 1 0 24 25 1 0 9 7 1 0 7 8 2 0 7 6 1 0 6 5 2 0 5 4 1 0 4 3 2 0 3 2 1 0 2 1 1 0 3 27 1 0 27 28 1 0 28 29 1 0 27 26 2 0 19 16 1 0 23 12 1 0 26 6 1 0 18 41 1 0 18 42 1 0 18 43 1 0 15 40 1 0 14 39 1 0 22 47 1 0 21 44 1 0 21 45 1 0 21 46 1 0 12 38 1 1 10 36 1 0 10 37 1 0 9 35 1 6 23 48 1 1 24 49 1 0 24 50 1 0 25 51 1 0 5 34 1 0 4 33 1 0 1 30 1 0 1 31 1 0 1 32 1 0 29 53 1 0 29 54 1 0 29 55 1 0 26 52 1 0 M END