RDKit 3D 97105 0 0 0 0 0 0 0 0999 V2000 6.0175 -0.5325 4.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 -0.5770 3.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3327 -0.1322 1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 0.3422 1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 0.7856 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2846 0.7593 -0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 0.2857 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1115 -0.1558 0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4145 -0.6236 0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7746 1.2253 -1.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 2.1172 -1.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.4680 -0.4935 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 1.3004 0.3687 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1800 0.2833 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 1.0158 -0.9177 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8108 0.3762 -0.0599 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4894 -1.0094 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -1.9836 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -1.7893 -1.9735 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0574 -1.9540 -2.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -1.7448 -3.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9336 -2.2846 -1.6293 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 -3.2981 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -4.3922 -1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 -3.6246 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 -2.6393 1.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -1.3422 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 -0.2665 2.6393 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1189 0.3132 2.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5291 1.4115 2.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 1.8223 1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5165 2.6566 2.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2742 0.6570 2.3577 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 1.2743 1.0558 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4739 2.0610 0.8209 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2198 1.6624 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1811 0.6812 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9014 0.2894 -1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 0.8635 -2.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4669 0.4367 -3.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7245 1.8434 -2.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 2.4332 -3.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 2.0150 -4.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0052 2.2390 -1.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0247 3.2275 -1.6948 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4621 0.0245 0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 0.6229 2.1422 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5061 -0.1392 2.5055 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5136 -0.5813 3.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 2.0079 1.9844 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5203 2.8377 1.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -3.1587 3.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6345 -4.5476 3.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 -4.7996 1.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6747 0.5039 4.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 -0.9907 5.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1103 -1.1165 3.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 0.3608 2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1886 0.2733 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 -0.9557 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 1.8129 -2.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 0.3567 -2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 3.0763 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 1.6160 -2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 3.0740 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 -0.5006 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 -0.2247 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5944 0.3191 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8427 -2.5870 -4.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4305 -1.8928 -4.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 -0.8228 -4.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1293 -4.9154 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 -5.1778 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 -4.0082 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 -0.7932 3.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 -0.5291 2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1326 0.5908 4.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 2.0596 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2878 3.1720 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6656 -0.4845 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8485 -0.0379 -4.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2515 -0.2566 -3.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0062 1.3261 -4.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 1.0795 -5.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 1.9843 -4.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 2.8166 -5.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 3.6857 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1543 -1.0542 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -0.0295 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4141 0.5848 3.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4527 -1.0636 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 -1.3598 3.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6022 3.6216 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4619 2.2489 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4027 3.3574 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -5.1028 3.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -4.7801 3.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 13 12 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 18 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 28 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 41 44 2 0 44 45 1 0 37 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 1 0 8 3 2 0 13 31 1 1 48 33 1 0 13 5 1 0 34 16 1 0 50 35 1 0 27 17 2 0 44 36 1 0 54 25 1 0 1 55 1 0 1 56 1 0 1 57 1 0 4 58 1 0 7 59 1 0 9 60 1 0 10 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 14 66 1 0 14 67 1 0 16 68 1 6 21 69 1 0 21 70 1 0 21 71 1 0 24 72 1 0 24 73 1 0 24 74 1 0 28 75 1 1 29 76 1 0 29 77 1 0 34 78 1 1 35 79 1 6 38 80 1 0 40 81 1 0 40 82 1 0 40 83 1 0 43 84 1 0 43 85 1 0 43 86 1 0 45 87 1 0 46 88 1 0 46 89 1 0 47 90 1 1 48 91 1 6 49 92 1 0 51 93 1 0 51 94 1 0 51 95 1 0 53 96 1 0 53 97 1 0 M END