RDKit 3D 94102 0 0 0 0 0 0 0 0999 V2000 -2.0174 2.2346 -3.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 2.0910 -2.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 2.5254 -1.2054 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5357 2.2844 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 4.0173 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9275 1.8493 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8628 2.3995 0.4166 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5613 1.4657 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6043 1.4761 1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1164 0.3153 2.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5777 -0.9191 2.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5277 -0.9438 1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 0.2260 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 0.4555 -0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 -0.4753 -0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 -1.3740 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 -1.5322 1.1205 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 -2.5799 1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 -2.8823 2.8389 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -3.2989 0.8647 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3557 -4.7923 1.2111 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0443 -5.5037 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -4.5122 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -3.3576 -0.5202 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 -2.3297 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 -2.1877 -2.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -4.5376 1.9544 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8272 -4.4383 3.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -3.0145 3.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 -2.2878 2.5299 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3457 -0.9048 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 -0.0368 3.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 -0.4461 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2252 0.7892 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 1.2581 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 2.0542 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 2.5076 0.5721 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0317 3.3548 1.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 1.3453 1.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 3.3408 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7593 4.5947 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 2.3742 -1.8718 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 1.8101 -2.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 1.8438 -4.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.1703 -4.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 0.4731 -3.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3407 0.4392 -2.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.1117 -1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2869 -1.5149 0.0678 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0158 -2.8582 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6968 -3.7795 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 -3.1444 1.3696 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0345 1.9424 -4.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 2.6536 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9753 1.6698 -3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4343 2.1896 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 3.1837 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 1.4353 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 4.5028 -2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 4.2631 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 4.5046 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0965 3.4255 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0518 2.4107 2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9401 0.3165 3.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9529 -1.8447 2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0586 -1.8831 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 -0.4354 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 -0.9020 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 -5.1734 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 -6.3426 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 -6.0102 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -4.9704 -1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -4.2819 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 -5.0921 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -5.1232 3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 -4.8726 3.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 -2.5752 4.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -2.9891 4.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 1.5438 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 4.3176 1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 2.8540 2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 3.6598 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 1.0027 2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 0.5406 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3656 1.7229 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9422 2.9288 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 4.9831 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5915 5.1560 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 2.9690 -2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 2.3927 -4.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 1.2025 -5.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -0.0552 -4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.0841 -1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 -1.2914 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 2 1 6 3 4 1 0 3 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 20 18 1 1 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 21 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 6 40 41 2 3 36 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 33 49 1 0 49 50 1 0 50 51 2 0 52 50 1 6 14 6 2 0 25 16 1 0 52 27 1 0 13 8 1 0 24 20 1 0 52 30 1 0 52 20 1 0 48 35 1 0 48 43 1 0 1 53 1 0 1 54 1 0 2 55 1 0 4 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 5 61 1 0 7 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 15 67 1 0 17 68 1 0 21 69 1 1 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 27 74 1 1 28 75 1 0 28 76 1 0 29 77 1 0 29 78 1 0 34 79 1 0 38 80 1 0 38 81 1 0 38 82 1 0 39 83 1 0 39 84 1 0 39 85 1 0 40 86 1 0 41 87 1 0 41 88 1 0 42 89 1 0 44 90 1 0 45 91 1 0 46 92 1 0 47 93 1 0 49 94 1 0 M END