RDKit 3D 152160 0 0 0 0 0 0 0 0999 V2000 -6.6784 -5.2475 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3364 -4.7400 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 -3.4029 -0.2293 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5735 -3.4769 -1.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2549 -2.8375 -0.7159 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4096 -1.5353 -1.3229 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -0.3408 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7992 0.2737 -1.2623 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2891 0.3046 0.4977 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6002 -0.4364 1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9933 0.0226 2.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2245 1.2531 1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8783 1.5976 0.7801 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 2.8609 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 3.6163 1.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6453 3.4491 -0.5441 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7325 3.9517 -1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 4.9686 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2443 6.2989 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0854 7.2557 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2458 6.8832 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5918 5.5588 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7495 4.6179 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 2.6126 -1.3061 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 3.0376 -1.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 2.5122 -2.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 4.0911 -1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 4.2234 0.1844 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 5.2601 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5707 5.7482 -0.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0859 5.0817 -1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 5.3376 -3.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 5.7140 1.8327 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7577 6.4663 1.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 4.6367 2.7845 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 4.1352 3.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 3.9031 4.7086 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 3.8498 2.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 3.3265 1.5305 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 3.1727 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 3.5946 2.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 4.0137 3.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 4.5763 4.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 2.5940 -0.1963 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8710 3.7664 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 4.6026 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 5.6824 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7957 6.4930 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0932 6.2135 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3188 5.1329 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2555 4.3273 -1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 1.8283 -0.6648 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4813 0.4942 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 0.0717 -1.7944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -0.4660 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -1.5961 -1.7996 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 -2.8684 -1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 -3.3533 -2.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3897 -3.7833 -0.4227 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8428 -3.6622 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 -4.4280 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4702 -5.1455 -1.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -5.1625 -0.9054 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 -6.1496 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0575 -6.9729 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0551 -6.2337 0.9283 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0503 -7.6570 1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -7.4290 2.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 -5.9655 2.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -5.8046 1.2899 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 -5.3759 0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 -4.1554 0.6615 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -6.0747 -0.5610 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0374 -7.5502 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 -5.5459 -1.8794 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 -5.4461 -2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4742 -5.7532 -4.1216 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -4.9958 -2.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -5.3314 -3.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2821 -4.6131 -2.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7482 -3.8499 -1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 -4.0748 -1.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6022 -5.6687 1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4137 -4.3973 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0620 -6.0459 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9747 -5.4576 -0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6626 -4.6567 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0289 -2.7327 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5069 -2.9330 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8804 -4.5381 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1637 -3.0803 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -2.8751 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1658 -1.5072 -2.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 0.3361 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 0.0307 2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 -1.4929 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7128 -0.7607 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 0.1268 3.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9667 1.1770 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6004 2.0314 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 4.3159 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 4.3839 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3464 3.0913 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 6.6159 -1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8178 8.2912 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8667 7.6595 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5108 5.2987 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 3.5940 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 1.6507 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 4.4018 -3.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 5.9849 -3.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5857 5.8985 -3.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 6.4488 2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 7.5295 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 6.4350 2.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4502 6.0432 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 4.1727 3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 3.9294 5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 4.6613 4.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2699 5.6061 4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 1.9421 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 3.3519 -2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 4.3775 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 5.9031 0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 7.3313 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8903 6.8490 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3393 4.9551 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 3.5047 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 2.3547 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6877 -0.7740 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5303 0.1242 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -1.4089 -2.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 -3.6291 0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -4.2220 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1979 -2.6494 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1689 -3.7928 -1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2807 -5.1636 -0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8489 -6.1340 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2029 -4.6173 -2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -5.6918 1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 -7.9699 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 -8.3799 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 -8.1005 2.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -7.6539 3.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 -5.3853 3.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 -5.7006 3.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -5.7872 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 -7.9022 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 -7.9540 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 -8.0226 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 -5.2157 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4823 -6.0586 -4.0278 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 1 0 7 8 2 0 7 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 16 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 29 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 40 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 44 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 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 70 71 1 0 71 72 2 0 71 73 1 0 73 74 1 0 73 75 1 0 75 76 1 0 76 77 2 0 76 78 1 0 78 79 2 0 79 80 1 0 80 81 1 0 81 82 2 0 81 5 1 0 13 9 1 0 23 18 1 0 31 27 2 0 42 38 2 0 51 46 1 0 63 59 1 0 70 66 1 0 82 78 1 0 1 83 1 0 1 84 1 0 1 85 1 0 2 86 1 0 2 87 1 0 3 88 1 1 4 89 1 0 4 90 1 0 4 91 1 0 5 92 1 1 6 93 1 0 9 94 1 6 10 95 1 0 10 96 1 0 11 97 1 0 11 98 1 0 12 99 1 0 12100 1 0 16101 1 1 17102 1 0 17103 1 0 19104 1 0 20105 1 0 21106 1 0 22107 1 0 23108 1 0 24109 1 0 32110 1 0 32111 1 0 32112 1 0 33113 1 1 34114 1 0 34115 1 0 34116 1 0 35117 1 0 43118 1 0 43119 1 0 43120 1 0 44121 1 1 45122 1 0 45123 1 0 47124 1 0 48125 1 0 49126 1 0 50127 1 0 51128 1 0 52129 1 0 55130 1 0 55131 1 0 56132 1 0 59133 1 1 60134 1 0 60135 1 0 61136 1 0 61137 1 0 62138 1 0 62139 1 0 66140 1 1 67141 1 0 67142 1 0 68143 1 0 68144 1 0 69145 1 0 69146 1 0 73147 1 1 74148 1 0 74149 1 0 74150 1 0 75151 1 0 79152 1 0 M END