RDKit 3D 161169 0 0 0 0 0 0 0 0999 V2000 12.4728 -0.0542 -2.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3412 -1.0809 -2.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2695 -1.5299 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3403 -0.9892 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2597 -1.4259 1.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2872 -0.8542 2.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3457 0.0015 1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4068 0.5297 2.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4471 0.2687 4.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3812 1.3992 2.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4386 1.9780 3.3011 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1124 1.3454 3.2673 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2616 1.5455 2.1813 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7075 0.4741 1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0209 -0.6722 1.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 0.6552 0.3141 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3534 1.3893 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3391 0.6858 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -0.7307 -1.9964 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2927 -1.4280 -2.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 -0.7908 -3.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 -1.4592 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 -0.6918 -0.1353 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8973 -0.7948 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 -1.6848 -1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 -1.8004 -1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 -1.1024 -1.1421 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3509 -1.6348 -1.1344 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4874 -3.0924 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8496 -1.3372 -2.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3032 -1.4273 -2.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1615 -0.8096 -1.6554 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4174 -1.4053 -1.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4584 -0.5718 -1.9755 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7700 -0.6411 -3.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6336 0.4522 -3.6083 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7609 0.7379 -5.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1676 0.1080 -5.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6102 1.7868 -5.4051 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0021 0.1332 -3.0115 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.9763 0.0398 -3.9897 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8408 -1.1899 -2.2532 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0148 -1.4570 -1.5926 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7239 -0.9864 -1.2413 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1434 -0.0942 -0.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1777 -0.5821 1.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3220 0.2304 1.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6763 1.5493 1.8161 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7016 1.9862 3.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0634 3.3318 3.3558 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9290 1.9383 1.1063 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3624 3.1750 1.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0754 0.9642 1.2801 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.9786 1.4417 2.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5411 -0.4124 1.6297 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4259 -1.4318 1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6434 -0.9637 -0.2711 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1636 0.2589 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1476 -2.1684 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1477 -0.7789 -0.2322 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6565 -0.7669 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 -0.0493 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 -0.7776 0.2172 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1005 -2.0134 0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8359 0.1354 -0.0313 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4995 1.2303 -0.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 0.7231 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 1.4566 0.9419 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0393 1.9668 2.2181 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 1.7015 4.4142 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 3.0262 4.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 3.9308 3.7337 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1966 4.1090 2.6406 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4135 3.4428 3.3355 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3049 3.9560 4.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1491 -2.4141 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0800 -2.9753 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1518 -2.5315 -0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0680 -3.0612 -1.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4226 0.7746 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4608 -0.4853 -2.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8728 0.3671 -3.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6797 -0.2354 -0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3006 -1.1261 3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2581 0.3244 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8503 1.6354 4.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 0.2083 3.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 2.3487 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 1.7468 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 0.7476 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4618 1.2632 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7924 -0.9814 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9909 -1.4948 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0129 -2.5002 -2.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8319 -0.4641 -4.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9913 -1.8880 -3.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 -0.2227 -3.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 -1.7232 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 -2.4451 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 -1.2515 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 -2.3670 -1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 -2.8992 -2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 -1.3337 -3.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 -0.0757 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -3.7515 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 -3.4701 -1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5865 -3.4161 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3585 -2.0341 -3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 -0.3182 -2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 -2.4442 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5459 -0.8375 -3.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 0.2865 -1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1795 0.4818 -1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2735 1.3595 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8179 2.5405 -4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2947 0.8771 -2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8556 0.2703 -3.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5525 -1.9835 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8173 -1.4270 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5484 -1.9883 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8485 -1.6276 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8379 2.1474 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3752 1.4016 3.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6701 1.9346 3.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 3.9407 2.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7452 2.1383 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1714 3.4251 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5732 0.8797 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8679 1.5859 1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3743 -0.3864 2.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9429 -2.3197 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3108 -0.0731 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 0.5313 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4482 1.0977 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4442 -2.4164 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1005 -1.8894 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 -3.0222 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9885 0.2867 -0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3328 -0.2198 1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -1.7410 1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 0.9944 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -0.0809 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -1.9845 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 -2.9365 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -2.2429 1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 1.6436 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 0.9170 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1482 2.1210 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 1.4985 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4405 0.0222 2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 2.3517 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3808 2.6924 2.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 3.3536 4.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 3.2308 5.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0897 4.9361 4.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 4.9287 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6272 3.9341 2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 4.7253 3.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1241 -2.7907 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7626 -3.7484 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0945 -2.7289 -2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 74 1 0 74 75 1 0 74 72 1 0 72 73 1 0 72 71 1 0 71 70 1 0 70 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 16 14 1 1 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 48 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 36 37 1 0 37 39 1 0 37 38 2 0 32 57 1 0 57 58 1 1 57 59 1 0 57 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 1 63 65 1 0 65 66 1 6 65 67 1 0 67 68 1 0 68 69 1 0 5 76 2 0 76 77 1 0 77 78 2 0 78 79 1 0 78 3 1 0 12 11 1 0 23 16 1 0 65 24 1 0 68 16 1 0 63 27 1 0 60 28 1 0 44 34 1 0 55 46 1 0 1 80 1 0 1 81 1 0 1 82 1 0 4 83 1 0 6 84 1 0 7 85 1 0 11 86 1 1 74157 1 6 75158 1 0 72155 1 1 73156 1 0 71153 1 0 71154 1 0 12 87 1 1 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 20 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 23100 1 1 25101 1 0 26102 1 0 26103 1 0 27104 1 6 29105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 6 34113 1 1 36114 1 1 40116 1 1 41117 1 0 42118 1 6 43119 1 0 44120 1 1 46121 1 6 48122 1 6 49123 1 0 49124 1 0 50125 1 0 51126 1 6 52127 1 0 53128 1 6 54129 1 0 55130 1 1 56131 1 0 39115 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 6 61139 1 0 61140 1 0 62141 1 0 62142 1 0 64143 1 0 64144 1 0 64145 1 0 66146 1 0 66147 1 0 66148 1 0 67149 1 0 67150 1 0 68151 1 6 69152 1 0 76159 1 0 77160 1 0 79161 1 0 M END