RDKit 3D 170179 0 0 0 0 0 0 0 0999 V2000 0.8107 6.4296 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 5.3301 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 3.9565 0.5988 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9025 4.2171 1.8551 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 3.0277 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.6855 1.4050 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2664 1.9634 2.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 1.2821 3.7156 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5068 1.9237 3.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1822 1.7078 5.1388 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6524 1.9279 5.1684 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0283 3.2437 4.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4398 0.8801 4.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 0.3683 5.7581 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9439 -0.6992 4.8211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8787 -2.0052 5.3946 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0431 -2.8888 4.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 -2.9705 3.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 -2.8307 3.1089 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7583 -3.6370 2.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9873 -2.9086 0.8598 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7527 -3.8152 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9296 -5.0439 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -4.7662 -0.4491 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7732 -5.5665 -1.4336 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -3.2708 -0.6795 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6576 -2.9580 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 -2.4256 0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -3.2834 4.4839 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2432 -3.2033 4.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1987 -2.5125 5.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 0.4864 5.9648 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8066 1.0223 7.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5214 1.3697 5.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 1.0804 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 -0.2540 1.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 -1.0082 1.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2832 -0.7897 0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 0.0058 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 1.3164 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7437 2.1241 -0.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 1.8635 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 3.2654 -0.4063 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5272 3.1277 -1.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.1808 -2.8463 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8372 4.5934 -3.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 4.9837 -4.6054 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6785 6.1634 -4.9224 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 6.6694 -6.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 7.2686 -3.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 3.7202 -5.4420 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4308 3.1993 -5.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 3.3672 -5.9746 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3086 2.4740 -7.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 1.0001 -6.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 0.7297 -5.4455 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2031 -0.6563 -5.3876 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 -1.3266 -4.3461 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9092 -2.7934 -4.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1847 -3.5247 -3.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 -3.2650 -3.2261 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1408 -3.7042 -1.9778 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3631 -1.7730 -3.4440 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8794 -1.5384 -3.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 -1.2562 -4.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 1.6577 -5.2591 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7582 1.4330 -3.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7323 3.0564 -5.3344 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 2.6153 -5.1498 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0335 2.5694 -6.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 2.8223 -3.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 -0.5389 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 0.1247 -0.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 -1.8751 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 -2.3343 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 -3.6083 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6744 -4.4234 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -3.9635 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -4.8246 1.9937 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 -2.6837 0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 -2.1751 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7939 -2.8982 1.6983 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 7.3412 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 6.6758 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 6.1482 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 5.6806 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6791 5.2347 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7561 3.4479 2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 3.5188 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 2.8549 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 0.9885 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 0.2270 3.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 1.5239 2.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4242 3.0023 3.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7903 2.4921 5.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0859 3.4454 4.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8713 3.3301 3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4608 4.0368 5.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 -0.0629 5.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 0.7207 3.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5077 1.1278 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2092 0.1568 6.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4079 -1.9774 6.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.5063 4.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 -3.8991 4.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -2.1685 2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 -3.9080 2.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 -1.7757 2.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6158 -2.0400 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9907 -3.2518 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6992 -4.1429 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 -5.3962 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1494 -5.8706 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -5.0607 0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 -6.4966 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5373 -2.9780 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -1.8831 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 -3.2352 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 -3.4893 -1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4447 -4.3322 4.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5924 -3.5022 5.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 -2.1761 4.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7204 -3.8499 3.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6636 -0.4895 5.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 0.3736 8.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 2.0339 7.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 1.0894 7.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -1.9169 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 1.6362 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1277 3.8897 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0997 2.4359 -2.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 4.6581 -2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 5.3202 -2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7782 5.2699 -4.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6767 5.9266 -7.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 7.5331 -6.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 6.9762 -6.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8385 6.9978 -2.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 8.1346 -4.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 7.5888 -3.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 3.9343 -6.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5473 4.4188 -6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 2.6016 -7.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 2.7471 -7.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 0.3810 -7.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 0.6865 -6.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 0.9688 -4.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 -0.8514 -3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9948 -2.8875 -4.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -3.2586 -5.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -4.6024 -3.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 -3.2063 -2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -3.8661 -4.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -3.9513 -2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -1.1984 -2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 -1.8656 -2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.4739 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 -2.0669 -4.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7972 1.4532 -6.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 1.6643 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1105 0.4031 -3.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 2.1046 -3.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 1.6315 -5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 2.3535 -7.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 3.5193 -6.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.7960 -6.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9770 -1.7059 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6242 -3.9679 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9556 -5.4186 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6338 -4.4032 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 19 20 1 0 45 46 1 0 46 47 1 0 47 51 1 0 51 69 1 0 69 71 1 0 71 45 1 0 51 52 1 0 8 9 1 0 9 10 1 0 10 14 1 0 14 32 1 0 32 34 1 0 34 8 1 0 14 15 1 0 65 58 1 0 53 54 1 0 80 81 1 0 74 72 1 0 72 39 1 0 38 81 1 0 54 55 1 0 81 82 2 0 55 56 1 0 72 73 2 0 56 66 1 0 66 68 1 0 74 80 2 0 68 53 1 0 80 78 1 0 78 77 2 0 56 57 1 0 77 76 1 0 21 22 1 0 76 75 2 0 75 74 1 0 22 23 1 0 23 24 1 0 38 39 2 0 24 26 1 0 39 40 1 0 40 42 2 0 26 28 1 0 35 36 2 0 36 38 1 0 35 42 1 0 28 21 1 0 24 25 1 0 61 62 1 0 35 6 1 0 42 43 1 0 43 3 1 0 3 5 1 0 5 6 1 0 36 37 1 0 58 59 1 0 40 41 1 0 59 60 1 0 3 2 1 0 60 61 1 0 2 1 1 0 61 63 1 0 3 4 1 1 6 7 1 0 43 44 1 0 63 65 1 0 11 12 1 0 16 17 1 0 11 13 1 0 17 18 1 0 69 70 1 0 18 19 1 0 66 67 1 0 19 29 1 0 63 64 1 0 29 31 1 0 48 49 1 0 31 16 1 0 48 50 1 0 78 79 1 0 58 57 1 0 53 52 1 0 45 44 1 0 47 48 1 0 26 27 1 0 21 20 1 0 16 15 1 0 29 30 1 0 8 7 1 0 10 11 1 0 32 33 1 0 58148 1 1 61153 1 6 62154 1 0 60151 1 0 60152 1 0 59149 1 0 59150 1 0 63155 1 1 53142 1 6 56147 1 1 55145 1 0 55146 1 0 54143 1 0 54144 1 0 66159 1 6 45131 1 1 51141 1 6 47134 1 6 46132 1 0 46133 1 0 69163 1 1 21109 1 1 24114 1 1 25115 1 0 27117 1 0 27118 1 0 27119 1 0 23112 1 0 23113 1 0 22110 1 0 22111 1 0 26116 1 6 16103 1 1 19108 1 6 30121 1 0 30122 1 0 30123 1 0 18106 1 0 18107 1 0 17104 1 0 17105 1 0 29120 1 1 8 92 1 6 14102 1 1 33125 1 0 33126 1 0 33127 1 0 10 95 1 1 9 93 1 0 9 94 1 0 32124 1 1 77169 1 0 76168 1 0 75167 1 0 43130 1 6 5 89 1 0 5 90 1 0 6 91 1 1 37128 1 0 41129 1 0 2 86 1 0 2 87 1 0 1 83 1 0 1 84 1 0 1 85 1 0 4 88 1 0 12 96 1 0 12 97 1 0 12 98 1 0 13 99 1 0 13100 1 0 13101 1 0 70164 1 0 70165 1 0 70166 1 0 67160 1 0 67161 1 0 67162 1 0 64156 1 0 64157 1 0 64158 1 0 49135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 50140 1 0 79170 1 0 M END