RDKit 3D 101105 0 0 0 0 0 0 0 0999 V2000 -3.6197 2.2298 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1386 1.0212 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0385 -0.1308 1.1823 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1846 -0.1120 0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3141 -0.0796 1.2034 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0368 1.0810 0.8364 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9610 1.1527 -0.5521 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5999 2.4589 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8995 3.5000 -0.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6229 -0.0269 -1.2206 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7928 -0.5736 -2.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3316 -0.4643 -3.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1170 -1.0487 -0.2454 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4651 -0.7873 0.0795 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2622 -1.2333 0.9616 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6253 -2.4700 0.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 -1.3717 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 -1.2892 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -0.1280 -0.2200 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5194 0.6004 -1.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -0.4842 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 0.2185 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 1.5369 1.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.9811 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6959 0.7465 0.9643 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1533 -0.4768 0.9902 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8451 -1.7520 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -2.8952 1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 -1.6739 2.8023 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 0.2553 1.8040 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1736 1.6060 1.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4762 -0.3092 1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2123 -1.1435 0.0900 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2754 -0.9874 -0.9459 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9694 -1.8700 -2.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6511 -1.3281 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4025 -0.5956 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6814 0.8304 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9407 1.2440 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2483 2.6834 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0505 0.2905 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 -0.7046 -0.3498 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9118 0.5960 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 -1.6746 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5471 -1.6309 -0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6729 2.4692 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 3.0595 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -0.1155 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0982 -0.0724 2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8957 1.1961 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6579 2.4231 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6509 2.5493 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2567 3.9127 -1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5287 0.3639 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5098 0.5966 -3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2501 -1.0879 -3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5845 -0.8559 -4.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1437 -2.0310 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7559 0.0898 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9647 -1.2464 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5383 -2.8111 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 -1.6321 1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -2.2212 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 -2.2542 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 -1.2563 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 0.9359 -1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 -0.0923 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 1.4838 -1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 1.4721 2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 2.3772 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 2.6300 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 2.5939 1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 0.1383 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 -2.1621 2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 -0.0463 2.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 2.0774 2.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9282 -0.9174 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 0.5629 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -2.2451 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 0.0834 -1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9546 -2.2160 -2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 -2.8137 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 -1.3056 -2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7016 -2.4339 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3409 -1.3556 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 -0.6531 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4363 -1.1001 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 1.5463 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3290 2.8293 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 3.3806 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9517 2.8350 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9995 0.8603 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1252 -0.4802 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0044 -0.1477 1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 1.2785 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 0.3372 -2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 1.1235 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -2.7169 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 -1.5157 -2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -2.5900 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 -1.6215 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 3 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 19 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 22 26 1 0 26 27 1 1 27 28 2 0 27 29 1 0 26 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 3 39 40 1 0 39 41 1 0 33 42 1 0 42 43 1 6 42 44 1 0 44 45 1 0 25 2 1 0 42 26 1 0 15 5 1 0 25 19 1 0 45 21 1 0 1 46 1 0 1 47 1 0 3 48 1 1 5 49 1 1 7 50 1 1 8 51 1 0 8 52 1 0 9 53 1 0 10 54 1 6 12 55 1 0 12 56 1 0 12 57 1 0 13 58 1 6 14 59 1 0 15 60 1 1 16 61 1 0 17 62 1 0 17 63 1 0 18 64 1 0 18 65 1 0 20 66 1 0 20 67 1 0 20 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 24 72 1 0 25 73 1 1 29 74 1 0 30 75 1 1 31 76 1 0 32 77 1 0 32 78 1 0 33 79 1 1 34 80 1 6 35 81 1 0 35 82 1 0 35 83 1 0 36 84 1 0 36 85 1 0 37 86 1 0 37 87 1 0 38 88 1 0 40 89 1 0 40 90 1 0 40 91 1 0 41 92 1 0 41 93 1 0 41 94 1 0 43 95 1 0 43 96 1 0 43 97 1 0 44 98 1 0 44 99 1 0 45100 1 0 45101 1 0 M END