BP52MF -OEChem-04022101363D 67 69 0 0 0 0 0 0 0999 V2000 -4.8723 1.3763 -1.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 2.2215 -0.1809 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 -0.6857 -0.1708 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 2.9576 0.1451 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 3.9811 1.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 -0.1116 -0.0752 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1461 -1.0863 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 -1.6447 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1399 -0.6434 0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 -2.6302 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 0.5386 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 0.8333 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 -1.0850 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 -3.6564 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 1.5286 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 0.4485 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 0.6727 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5296 -0.6821 1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 -4.6613 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 2.8605 0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 1.8383 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 -0.3317 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 1.9504 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 0.9384 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.2016 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7169 1.0826 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 -0.2828 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3681 -1.5654 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 -1.7333 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6666 0.8319 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5747 -0.6185 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0381 0.6640 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3132 -3.1044 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4254 -0.6274 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1795 -2.1723 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2982 -1.1256 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -2.1865 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8371 -1.0519 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1065 0.4487 0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -3.1612 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5644 -2.1129 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6059 -2.1734 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9019 -0.6377 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 -4.1913 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -3.1428 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 1.6904 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 0.9398 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -0.0617 -2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2441 -1.1431 2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5472 -1.0046 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5400 0.4043 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 -5.2134 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -5.3841 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 -4.1604 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 -1.2304 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 2.8514 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 -0.9978 -1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2734 4.9090 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 3.9245 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 -0.9871 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -2.4356 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3272 1.8548 0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6446 -0.7358 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6894 1.5312 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -3.4348 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7565 -3.8200 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3537 -3.1311 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 26 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 20 2 0 0 0 0 4 21 1 0 0 0 0 5 20 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 60 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 13 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 20 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 57 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 28 29 2 0 0 0 0 28 61 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END $$$$