RDKit 3D 147147 0 0 0 0 0 0 0 0999 V2000 18.1861 -2.9050 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8867 -2.6334 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 -1.8302 0.3124 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6964 -2.6798 -0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6581 -1.6250 1.0855 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9656 -0.9090 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4099 0.1809 2.5459 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6914 -0.8585 0.3341 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4474 -1.2687 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0384 -2.4281 0.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6079 -0.2941 -0.8735 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2940 0.3206 -2.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3201 -0.8027 -1.2863 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1662 -0.6705 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2129 -0.0953 0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 -1.2159 -0.9492 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8745 -0.9134 0.0726 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 0.0185 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 0.5640 -1.3757 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 0.3970 0.7838 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0232 -0.7540 1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 1.4510 0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 2.7885 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 3.0023 1.2767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 3.9548 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 3.6931 -0.6058 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 2.9963 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 2.5397 1.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 2.8321 -0.8666 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7216 4.1846 -0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0868 5.3243 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 6.8338 -0.9416 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 7.1147 0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 1.8287 -0.3109 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 1.3464 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 1.8398 -2.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 0.3487 -0.5109 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6586 0.1363 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 -0.8844 1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 -1.0912 2.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 -2.0138 3.7796 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 -0.4361 3.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 0.7638 -0.7567 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 -0.0532 -0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3395 -1.2959 -0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7590 0.5229 -1.2378 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8122 1.9733 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0716 2.7216 -1.1757 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2335 2.3075 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8098 4.2270 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7041 -0.2619 -0.4871 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9343 -0.7648 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2703 -0.5281 -2.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8170 -1.5463 -0.1159 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3396 -1.6570 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3070 -0.4390 1.9172 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1460 -1.0581 -0.2515 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0519 -0.5468 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7777 -0.4285 1.8876 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4325 -0.0908 0.2590 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.7236 1.0724 1.1329 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4883 -1.1008 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3729 -2.3836 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0362 -2.6033 -1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9553 -3.8062 -2.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1882 -4.8241 -1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1282 -6.0322 -2.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5238 -4.6462 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6245 -3.4150 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 -2.6896 -1.1635 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5313 -3.3729 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.2292 -1.5536 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8060 -3.6614 0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7765 -1.9751 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9612 -3.1938 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4203 -3.6326 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1037 -2.1803 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4228 -0.8719 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9748 -3.7401 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3566 -2.3181 -1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6555 -2.5886 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3005 -2.6465 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6456 -1.2517 3.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0075 0.1387 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 0.5083 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2304 -0.2252 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6545 0.3183 -2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4820 1.4012 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2477 -1.2714 -2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6416 -0.7417 -1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9635 -1.4068 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 0.8747 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -0.5719 2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 -0.9625 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 -1.6613 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 1.2528 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 4.5227 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 4.6423 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 4.0054 -1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 2.6964 -1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 4.2808 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 4.1085 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 5.5241 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 5.2715 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 8.0150 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 6.2640 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2642 7.2330 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 1.4378 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -0.6711 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6451 -0.2773 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 1.0767 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5111 -1.7987 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 -0.4580 1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4069 -2.8162 3.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0381 -1.9020 4.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 1.8453 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9804 0.3799 -2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0046 2.4828 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4652 2.1847 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3738 2.5948 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0357 1.8085 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7325 3.2222 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8831 1.6930 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0257 4.5653 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7385 4.3877 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4585 4.7728 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4361 -0.4760 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7749 -2.6399 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0361 -2.3244 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3244 -2.1428 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9428 -0.5228 2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5137 -1.1143 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4355 0.2123 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8505 1.5143 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2927 1.7667 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4714 -0.5717 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5118 -1.3098 1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6242 -1.7855 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4605 -3.9956 -2.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8066 -6.7774 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9291 -5.4316 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1077 -3.2451 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7354 -2.8998 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9759 -2.6271 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2973 -4.1238 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 -3.8757 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 -2.5166 -1.5571 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 3 5 1 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 29 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 2 0 37 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 46 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 54 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 66 67 1 0 66 68 1 0 68 69 2 0 16 70 1 0 70 71 1 0 70 72 1 0 69 63 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 6 4 79 1 0 4 80 1 0 4 81 1 0 5 82 1 1 6 83 1 0 8 84 1 0 11 85 1 1 12 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 16 90 1 6 17 91 1 0 20 92 1 1 21 93 1 0 21 94 1 0 21 95 1 0 22 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 29100 1 6 30101 1 0 30102 1 0 31103 1 0 31104 1 0 33105 1 0 33106 1 0 33107 1 0 34108 1 0 37109 1 6 38110 1 0 38111 1 0 39112 1 0 39113 1 0 41114 1 0 41115 1 0 43116 1 0 46117 1 6 47118 1 0 47119 1 0 48120 1 6 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 51127 1 0 54128 1 6 55129 1 0 55130 1 0 56131 1 0 57132 1 0 60133 1 6 61134 1 0 61135 1 0 62136 1 0 62137 1 0 64138 1 0 65139 1 0 67140 1 0 68141 1 0 69142 1 0 70143 1 6 71144 1 0 71145 1 0 71146 1 0 72147 1 0 M END