BODA53 -OEChem-04022107463D 55 56 0 1 0 0 0 0 0999 V2000 -2.6957 2.2776 1.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 3.4277 0.5817 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4332 2.4260 0.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4823 -2.0807 0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8552 -3.4737 0.8035 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8102 2.1003 -1.2531 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3148 -1.4433 1.6193 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.0812 -0.0810 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1163 1.8269 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2005 -0.2617 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3569 3.1395 -1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 0.4378 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5411 -1.0565 0.9174 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1444 1.7300 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0098 2.9262 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3263 1.9868 0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 0.0406 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 -0.7275 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2694 -2.3430 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -0.6508 1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 -1.7066 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6645 0.3681 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -0.8146 -2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 -1.0145 2.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 -2.7727 -0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 0.0043 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -1.8807 -2.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0894 -0.6870 1.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1527 -2.8597 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5525 0.8663 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 1.1501 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0365 2.0612 -1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 -0.8746 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -0.0642 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 0.6796 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 3.8459 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 3.6178 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1737 -0.4793 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 2.5554 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7296 1.6595 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 1.7847 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -1.9731 2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8275 -0.6128 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8353 -0.9049 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 -1.6503 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 0.8861 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 -0.0951 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0871 -1.5508 3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3261 -3.5346 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8105 0.2549 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 -1.9527 -3.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 2.8669 2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0805 -0.9708 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 -3.6902 -2.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9744 -2.9031 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 52 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 4 55 1 0 0 0 0 5 19 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 41 1 0 0 0 0 7 13 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 24 28 2 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$