RDKit 3D 97103 0 0 0 0 0 0 0 0999 V2000 -0.1300 0.5687 -4.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 1.0946 -3.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 2.3020 -3.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 0.2391 -2.8647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 0.5769 -1.7168 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1517 0.0165 -1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6286 -0.4100 -2.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 -0.0370 -0.4536 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8152 -1.1412 -0.6121 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8732 1.1463 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 1.7473 0.8522 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5837 2.8860 1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 2.1195 1.1292 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0290 0.8864 1.7443 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7367 0.9821 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 0.8786 3.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 0.9948 4.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 0.6822 4.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1331 -0.2876 0.7584 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7457 -1.4136 1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -0.7123 0.4384 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5082 -2.1284 0.0415 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0283 -2.5660 -1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 -3.5600 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 -3.9326 -2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -4.1593 -0.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 -2.4313 0.2562 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1685 -2.4261 1.6334 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 -1.4661 -0.3432 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5338 -2.1232 -1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 -0.1370 -0.7257 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9887 0.2543 -0.4551 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3799 0.9379 -0.1502 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4749 2.0004 -1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9955 3.2672 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1295 4.3316 -1.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 3.5512 0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 0.1451 -0.0413 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0401 -1.1191 0.6093 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9405 -2.0985 1.1039 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4922 -3.2127 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 -1.4359 1.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5266 -0.2252 1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6013 0.5714 1.9438 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 1.9041 1.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0033 2.8476 2.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8251 1.9312 1.3711 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9692 1.9258 2.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 3.1050 0.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 0.6876 0.5539 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8763 0.9815 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 0.6081 -5.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -0.4049 -4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9827 1.2878 -5.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 1.6962 -1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3213 -1.0395 -1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 1.9406 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 0.9274 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 1.1031 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 2.5264 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 0.7143 2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 2.0636 4.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 0.7128 5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 0.3178 3.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5033 -0.9311 2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0075 -1.8508 2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 -2.1126 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -0.6105 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 -2.7452 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -4.1412 -3.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -3.1433 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 -4.8817 -2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 -3.4573 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -3.3509 2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1086 -1.5955 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -3.1652 -1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 -2.0307 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.0262 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 1.1978 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 1.2279 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 5.0709 -1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 4.8586 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 3.9475 -2.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 -0.1010 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4601 -0.6624 1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 -2.6021 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0376 -3.8860 1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -3.8868 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3653 -2.9233 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 -2.0041 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 2.5155 2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5105 2.4536 3.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7932 0.9065 2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 3.7905 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6491 1.9577 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7532 0.2046 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8921 0.9310 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 41 40 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 47 49 1 6 47 50 1 0 50 51 1 6 50 38 1 0 38 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 2 0 33 31 1 0 31 32 1 0 32 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 6 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 14 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 22 27 1 0 27 28 1 0 27 29 1 0 29 30 1 6 29 39 1 0 39 40 1 0 50 43 1 0 39 38 1 0 29 31 1 0 21 32 1 0 19 8 1 0 13 11 1 0 41 87 1 0 41 88 1 0 41 89 1 0 40 86 1 1 42 90 1 0 48 91 1 0 48 92 1 0 48 93 1 0 49 94 1 0 51 95 1 0 51 96 1 0 51 97 1 0 38 84 1 6 33 80 1 1 36 81 1 0 36 82 1 0 36 83 1 0 31 78 1 6 32 79 1 1 5 55 1 6 1 52 1 0 1 53 1 0 1 54 1 0 9 56 1 0 10 57 1 0 10 58 1 0 11 59 1 1 13 60 1 6 14 61 1 1 17 62 1 0 17 63 1 0 17 64 1 0 20 65 1 0 20 66 1 0 20 67 1 0 21 68 1 1 22 69 1 1 25 70 1 0 25 71 1 0 25 72 1 0 27 73 1 6 28 74 1 0 30 75 1 0 30 76 1 0 30 77 1 0 39 85 1 1 M END