RDKit 3D 164168 0 0 0 0 0 0 0 0999 V2000 0.6094 7.6490 2.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 8.4125 3.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 7.8275 2.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 8.6200 2.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 8.1227 2.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 8.2390 0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 7.7083 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6709 6.2391 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 5.3810 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 3.9090 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8578 3.2422 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9653 1.7911 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 1.0467 -0.6997 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8589 -0.4377 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 -1.1276 -0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1552 -0.8756 -1.9545 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 -2.0711 -0.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -2.7611 -0.4570 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6692 -2.0642 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 -2.4557 1.5582 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -2.8726 2.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 -3.3670 1.4659 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7985 -3.2941 2.5164 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7862 -4.2667 2.2251 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -3.6881 1.8667 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4540 -4.0489 0.6105 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 -3.3685 0.5820 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5122 -3.6701 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 -5.0490 -0.7621 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -3.7990 1.8802 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1025 -2.6720 2.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1434 -4.0120 2.7718 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1962 -3.0266 3.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 -3.3787 3.9374 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5836 -2.4538 4.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5815 -2.8470 5.7975 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4118 -2.1400 6.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1346 -2.7034 7.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0771 -1.9599 8.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3089 -0.6284 7.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 0.0846 8.4975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 -0.1084 6.8949 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -0.8475 6.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.2674 5.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 -4.3418 5.7478 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8312 -5.0228 6.8377 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -4.7219 4.4725 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2461 -5.4565 4.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 -4.6594 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 -5.6302 1.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9067 -4.9493 0.3206 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -6.3778 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -4.2009 -0.4241 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9400 -4.8008 -1.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 -4.3257 -2.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 -5.9185 -2.0656 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8998 1.0334 -2.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 1.6586 -2.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 2.1560 -2.2634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1421 1.5811 -4.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 2.1085 -5.4181 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1592 1.7320 -6.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 1.7053 -5.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8887 1.9830 -4.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 2.8194 -3.8357 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 1.2376 -4.8723 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 1.4734 -4.0202 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5360 1.9337 -4.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 1.0692 -5.8031 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8519 1.6533 -6.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 -0.2721 -5.3348 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9556 -1.1646 -6.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1255 -1.7903 -6.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.8212 -4.1399 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2611 -1.5893 -3.3939 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 -2.9253 -3.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8071 0.2348 -3.2344 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6896 0.6150 -2.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 0.3556 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3913 6.7231 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 7.4128 3.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2743 8.2676 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8589 8.3847 4.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 9.4568 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 6.7560 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 7.8330 1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 8.5286 3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 9.6951 2.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1644 8.7819 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5573 7.1234 2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3282 7.6975 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 9.3240 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 8.2297 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 7.9198 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6013 5.9382 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9202 6.1558 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 5.5499 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 5.7664 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 3.8772 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 3.3920 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7665 3.8155 -0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7594 3.4251 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 1.4049 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1383 1.6435 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 1.5184 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7343 -0.9124 -0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8986 -0.5642 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -2.4112 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 -2.1389 -0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 -0.9758 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 -3.0836 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 -1.9907 3.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -3.7976 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3635 -2.9905 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 -2.3019 2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8569 -2.5799 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 -2.2917 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 -3.3842 -1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3863 -2.9843 -0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6681 -5.2652 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2172 -5.2243 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9759 -4.6934 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -1.8385 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0993 -5.0012 3.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1444 -2.1500 3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 -3.1231 4.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -2.6944 6.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -3.7433 7.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -2.3810 9.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 0.9040 6.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 -4.5230 5.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 -4.5740 7.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -5.2974 3.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 -6.0294 3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 -6.6942 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 -6.5895 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4254 -6.9626 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 -4.5034 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 -5.9369 -2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3734 0.4531 -4.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2247 2.0120 -4.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4434 3.2609 -5.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0666 2.3465 -6.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4476 0.6765 -6.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 1.9263 -7.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 2.1086 -6.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9633 0.5687 -5.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 2.2588 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 1.0634 -6.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6646 1.4880 -7.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 2.7439 -6.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7888 1.1879 -6.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 -0.2801 -5.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 -2.4710 -7.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -2.4619 -5.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 -1.0816 -7.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5678 -1.5192 -4.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7898 -3.4291 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 -2.9442 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6048 -3.4714 -2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 -0.1716 -2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 0.9049 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -0.7272 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8733 0.7203 -0.1688 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 23 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 2 0 36 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 22 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 13 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 60 61 1 0 61 62 1 0 61 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 69 70 1 0 69 71 1 0 71 72 1 0 72 73 1 0 71 74 1 0 74 75 1 0 75 76 1 0 74 77 1 0 77 78 1 0 78 79 1 0 53 18 1 0 77 67 1 0 32 25 1 0 47 34 1 0 43 37 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 6 14106 1 0 14107 1 0 18108 1 6 19109 1 0 19110 1 0 21111 1 0 21112 1 0 21113 1 0 22114 1 6 23115 1 1 25116 1 6 27117 1 1 28118 1 0 28119 1 0 29120 1 0 29121 1 0 30122 1 6 31123 1 0 32124 1 1 33125 1 0 34126 1 1 36127 1 1 38128 1 0 39129 1 0 42130 1 0 45131 1 6 46132 1 0 47133 1 6 48134 1 0 52135 1 0 52136 1 0 52137 1 0 53138 1 1 56139 1 0 60140 1 0 60141 1 0 61142 1 1 62143 1 0 62144 1 0 62145 1 0 63146 1 0 63147 1 0 67148 1 1 69149 1 6 70150 1 0 70151 1 0 70152 1 0 71153 1 1 73154 1 0 73155 1 0 73156 1 0 74157 1 6 76158 1 0 76159 1 0 76160 1 0 77161 1 1 79162 1 0 79163 1 0 79164 1 0 M END