RDKit 3D 159162 0 0 0 0 0 0 0 0999 V2000 13.8601 -0.1337 1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8458 -1.1588 1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8110 -1.6157 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0473 -0.6396 -1.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0926 0.4743 -1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6843 0.0251 -2.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8247 1.2514 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4106 0.9249 -2.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 0.0763 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6163 0.6944 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8929 1.9823 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5137 2.0700 -0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 1.4016 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 -0.0714 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 -0.5907 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 -0.3550 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 0.1110 -0.9428 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 -0.6326 0.7736 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5127 -0.3940 0.0373 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7450 0.6809 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 1.5044 1.7573 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9410 0.8840 2.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 2.3519 2.4079 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6697 2.8349 1.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.5646 3.3764 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.5315 3.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2487 -0.6183 3.7077 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 0.6324 2.3571 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4019 -0.7452 2.3612 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2990 -0.8564 1.3318 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0667 -0.8215 3.7240 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5557 -1.1194 3.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8547 0.5347 4.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 1.3661 3.0865 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3801 2.5271 2.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1942 3.5332 3.4601 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1896 2.8128 1.4614 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5951 2.3465 1.7070 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8119 2.6115 3.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6069 3.2765 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9657 2.7597 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1572 1.5561 2.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9941 3.3486 0.8943 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 2.5791 0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 2.1727 -1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2768 3.0716 -1.9638 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6271 0.8175 -1.5133 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7180 1.0475 -2.5713 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7467 1.7718 -1.8828 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4193 -0.2106 -2.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2198 -0.8417 -1.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7617 -1.6928 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -2.2569 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9770 -1.9714 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8430 -2.5296 0.9421 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4701 -1.1033 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8192 -0.8174 -0.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4509 0.4865 -0.1145 S 0 0 1 0 0 6 0 0 0 0 0 0 -12.0134 0.5075 1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0656 1.7894 -0.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1426 0.4491 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6068 -0.5740 -1.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 0.1897 -2.2142 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2307 -1.0910 -2.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 -1.2034 -3.9459 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 -2.3350 -1.9436 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9434 -3.3673 -2.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5067 -4.6276 -2.0304 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4123 -4.9910 -1.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1664 -4.3006 -1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -3.0470 -2.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 -2.7120 -2.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 -3.3689 -3.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 -1.7552 -2.3676 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9727 -0.3416 -2.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -0.2423 -1.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2969 -2.2657 -1.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 -1.6668 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4518 -2.2402 0.9843 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4560 -0.3873 2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2718 0.9058 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9667 -0.1112 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8865 -0.8094 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6962 -2.0574 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8074 -2.1374 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5958 -2.4257 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1548 -1.1661 -2.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0603 -0.1790 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4491 1.0219 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1173 1.1678 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6952 -0.4893 -3.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -0.6802 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8627 1.8811 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2612 1.9473 -2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3993 0.3613 -3.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8933 1.8833 -2.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2441 -0.8863 -1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6965 -0.1971 -1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7187 0.9814 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4033 -0.0558 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0219 2.4108 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5218 2.6834 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4947 1.6846 -1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1973 3.1752 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 1.8715 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4093 1.7294 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -0.6273 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3463 -0.2909 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 -0.1973 1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 -1.6860 1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 -1.0217 1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.0107 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2153 0.2316 1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 1.3859 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 2.2888 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8051 1.3443 3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 3.2401 2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3435 3.4488 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3196 1.7656 4.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 0.9975 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 -1.5491 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9683 -0.4376 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 -1.6327 4.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6868 -2.2201 3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1382 -0.6920 4.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9808 -0.7374 2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 0.5465 4.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 0.8619 5.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3407 3.9896 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8156 1.3071 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2332 1.8358 3.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3794 3.5408 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5834 4.2768 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7958 0.6292 1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6697 1.5571 2.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5673 2.7964 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0518 0.2357 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3877 1.6903 -3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1391 2.4284 -2.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6647 -0.9555 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1274 -0.0319 -3.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7309 -1.9424 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1979 -2.9222 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5344 -3.1610 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4893 0.7929 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9649 0.1134 -2.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7349 0.9385 -2.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4415 -2.3858 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -3.1482 -2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5066 -3.3185 -3.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4168 -5.4773 -2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9348 -5.0664 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 -5.1402 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3081 -4.0137 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1521 -1.7262 -3.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 0.3803 -2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6306 -0.0164 -3.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 0.7185 -0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 -3.2760 -1.4783 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 41 43 2 0 37 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 58 57 1 6 58 59 2 0 58 60 2 0 58 61 1 0 56 62 2 0 47 63 1 0 63 64 1 0 64 65 2 0 64 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 71 72 1 0 72 73 2 0 72 74 1 0 74 75 1 0 75 76 1 0 74 77 1 0 77 78 1 0 78 79 2 0 78 19 1 0 34 28 1 0 62 51 1 0 71 66 1 0 1 80 1 0 1 81 1 0 1 82 1 0 2 83 1 0 2 84 1 0 3 85 1 0 3 86 1 0 4 87 1 0 4 88 1 0 5 89 1 0 5 90 1 0 6 91 1 0 6 92 1 0 7 93 1 0 7 94 1 0 8 95 1 0 8 96 1 0 9 97 1 0 9 98 1 0 10 99 1 0 10100 1 0 11101 1 0 11102 1 0 12103 1 0 12104 1 0 13105 1 0 13106 1 0 14107 1 0 14108 1 0 15109 1 0 15110 1 0 18111 1 0 19112 1 6 20113 1 0 20114 1 0 21115 1 6 22116 1 0 23117 1 1 24118 1 0 25119 1 0 28120 1 6 29121 1 1 30122 1 0 31123 1 1 32124 1 0 32125 1 0 32126 1 0 33127 1 0 33128 1 0 37129 1 6 38130 1 1 39131 1 0 40132 1 0 40133 1 0 42134 1 0 42135 1 0 44136 1 0 47137 1 1 48138 1 6 49139 1 0 50140 1 0 50141 1 0 52142 1 0 53143 1 0 55144 1 0 61145 1 0 62146 1 0 63147 1 0 66148 1 1 67149 1 0 67150 1 0 68151 1 6 69152 1 0 70153 1 0 70154 1 0 74155 1 6 75156 1 0 75157 1 0 76158 1 0 77159 1 0 M END