RDKit 3D 138143 0 0 0 0 0 0 0 0999 V2000 4.1608 4.2360 1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2404 3.0898 1.3159 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9279 1.8828 1.6409 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 0.6419 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -0.3617 1.7035 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5439 0.3217 -0.3257 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0187 0.3907 -0.2814 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 1.1473 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 1.8029 -2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2137 1.2007 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9352 1.9740 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2771 2.0571 -2.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9791 1.3465 -1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3561 1.4002 -1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0999 0.6991 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3913 -0.0883 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0146 -0.1395 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2788 0.5701 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9321 0.5135 -0.2195 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 -1.1340 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1841 -1.8785 0.4408 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 -3.1178 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4506 -3.3854 1.5693 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 -4.2699 0.4664 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1845 -4.2766 -0.9939 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5123 -4.3276 -1.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5329 -5.6214 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4821 -4.4528 1.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6362 -5.5467 2.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 -3.7354 1.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 -3.2290 2.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2574 -3.4280 0.4632 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3722 -1.9568 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1462 -1.1050 1.7505 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 0.9153 1.7094 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 1.3952 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 2.8810 -0.2474 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5838 2.9954 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 2.8633 -2.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9604 3.2308 -1.0083 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 4.0501 -1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 2.7075 0.1157 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3007 3.7090 1.0273 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3098 4.6347 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2205 4.5205 1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 1.7053 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6065 1.3477 -1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6989 1.1438 0.3288 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6847 0.4145 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7502 -0.6343 1.4199 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7743 -0.2330 0.4442 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1215 -0.2040 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3769 -0.5395 2.0584 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2418 0.1688 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0378 0.6572 -1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0519 1.0062 -2.0682 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3271 0.8721 -1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3846 1.2217 -2.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6888 1.0865 -2.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9396 0.5930 -0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8668 0.2563 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5487 0.3799 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5164 0.0353 0.4448 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2951 -2.0126 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8536 -2.8942 1.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3838 -2.4958 0.2172 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9642 -2.2647 0.0787 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5849 -2.6627 -1.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 -3.0654 1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -3.0186 2.2684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -3.8173 0.9738 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 -5.2273 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7001 3.5548 -0.6624 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5355 4.4950 -1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 3.3982 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 3.5473 -0.8624 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 4.0171 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 4.0955 2.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 5.1973 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 3.2410 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 1.9578 2.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1504 0.9278 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 -0.1489 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 2.5612 -2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8281 2.0456 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1622 0.7439 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 -0.6298 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4672 -0.7592 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 -1.4406 -1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -1.1076 -1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 -5.2273 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 -3.4149 -1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 -4.0123 -2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8212 -5.3909 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 -3.7901 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2714 -6.4397 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -5.5152 -2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -5.8644 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7149 -5.7351 2.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 -5.2423 3.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -6.4784 2.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -3.9310 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -1.7555 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.5596 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0989 0.7955 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 1.0446 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 3.3315 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 5.1295 -1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 3.9354 -1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 3.7432 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0053 2.0820 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8331 3.1836 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8893 5.4567 -0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 4.0549 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 5.1828 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 5.0173 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6921 5.2190 2.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 3.8226 2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 0.0801 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 1.1858 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2961 -0.5940 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5207 0.0257 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0424 0.7796 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2215 1.6062 -3.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5173 1.3553 -2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9649 0.4951 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0578 -0.1275 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8018 -3.1648 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7828 -1.1979 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -3.3605 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -1.7546 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4565 -3.1932 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9716 -5.5047 1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 -5.3106 2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -5.9066 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5256 4.9331 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 5.3581 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 4.0158 -2.7592 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 42 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 50 64 1 0 64 65 2 0 64 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 69 70 2 0 69 71 1 0 71 72 1 0 37 73 1 0 73 74 1 0 73 75 1 0 75 76 2 0 75 2 1 0 19 10 1 0 71 32 1 0 18 13 1 0 63 54 1 0 62 57 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 1 3 81 1 0 6 82 1 6 7 83 1 0 11 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 20 89 1 0 20 90 1 0 24 91 1 6 25 92 1 6 26 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 27 98 1 0 29 99 1 0 29100 1 0 29101 1 0 32102 1 6 33103 1 0 33104 1 0 36105 1 0 36106 1 0 37107 1 1 41108 1 0 41109 1 0 41110 1 0 42111 1 1 43112 1 1 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 45118 1 0 49119 1 0 49120 1 0 50121 1 1 51122 1 0 55123 1 0 58124 1 0 59125 1 0 60126 1 0 61127 1 0 66128 1 0 67129 1 1 68130 1 0 68131 1 0 68132 1 0 72133 1 0 72134 1 0 72135 1 0 74136 1 0 74137 1 0 74138 1 0 M END