RDKit 3D 101106 0 0 0 0 0 0 0 0999 V2000 3.1417 1.7247 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 0.2711 -0.7204 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4700 -0.5154 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -0.2338 0.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -0.9396 1.1489 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1646 -0.0277 1.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3228 0.5545 1.5439 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1509 2.0694 1.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2793 2.7275 1.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5513 0.3173 0.0795 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7764 0.8757 -0.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5855 -1.1449 -0.2805 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3271 -1.2337 -1.6429 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 -1.8787 0.4645 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0475 -2.8348 1.3435 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -0.1592 -2.0432 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2500 -1.0680 -1.9427 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 -0.7469 -2.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.6050 -2.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 -0.8081 -1.1710 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8112 -2.2079 -0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 0.2381 -0.4555 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9290 0.1142 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5035 0.3749 1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -0.2395 0.3705 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9576 -1.5531 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -0.4593 -1.0166 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9439 -1.3610 -1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3322 -1.0177 -1.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -0.1370 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1787 0.1251 -0.2502 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6555 1.4405 -0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 1.4293 -0.8968 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6910 0.8211 -2.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5941 2.7580 -0.8197 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7313 0.6932 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7709 0.7917 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4907 -0.0240 1.1952 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8807 -1.4367 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -2.0275 2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -2.1478 0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4231 0.4175 2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 1.1092 1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7383 0.6371 0.2546 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4138 1.8802 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 1.8688 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 2.4056 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 1.9266 -0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -1.5915 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 -0.1406 1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 -1.5476 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2152 0.2958 2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 2.2388 2.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 2.4230 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 3.6895 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7828 0.8788 -0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4995 0.5239 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5921 -1.5776 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4536 -2.1722 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9041 -2.4775 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3054 -2.3915 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 0.7239 -2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 -1.9805 -2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 -0.3239 -4.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 -1.8501 -3.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.4083 -2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 -1.3271 -3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 -2.9397 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -2.4775 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 -2.4158 0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 1.2231 -0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 0.9358 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 -0.8221 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 1.4767 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 -0.0481 2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 -1.5549 2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0538 -1.6934 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -2.4227 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.5385 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -1.2586 -2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 -2.4378 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 -1.5627 -1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7526 -0.6649 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 2.3197 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 1.4968 -1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2263 -0.1350 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4506 1.5104 -2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9173 0.6480 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5015 2.7534 -0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6611 1.2172 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0449 -0.3358 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2553 0.4486 2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5174 1.8645 1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4370 -2.7600 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0838 -0.4832 2.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8883 1.0712 2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 1.0233 2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 2.2017 1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9967 2.7405 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 2.2057 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 1.7713 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 34 33 1 0 33 35 1 1 33 36 1 0 36 37 1 0 37 38 1 0 38 42 1 0 42 43 1 0 43 44 1 0 44 45 1 6 44 30 1 0 30 29 2 0 29 28 1 0 28 27 1 0 27 20 1 0 20 21 1 1 20 19 1 0 19 18 1 0 18 16 1 0 16 17 1 0 16 2 1 0 2 1 1 1 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 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 2 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 30 31 1 0 31 32 1 0 38 39 1 6 39 41 1 0 39 40 2 0 32 33 1 0 31 38 1 0 25 44 1 0 25 27 1 0 22 20 1 0 14 5 1 0 34 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 42 95 1 0 42 96 1 0 43 97 1 0 43 98 1 0 45 99 1 0 45100 1 0 45101 1 0 29 82 1 0 28 80 1 0 28 81 1 0 27 79 1 6 21 68 1 0 21 69 1 0 21 70 1 0 19 66 1 0 19 67 1 0 18 64 1 0 18 65 1 0 16 62 1 6 17 63 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 0 3 50 1 0 5 51 1 1 7 52 1 1 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 6 11 57 1 0 12 58 1 6 13 59 1 0 14 60 1 6 15 61 1 0 22 71 1 6 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 26 76 1 0 26 77 1 0 26 78 1 0 31 83 1 6 32 84 1 0 32 85 1 0 41 94 1 0 M END