RDKit 3D 150155 0 0 0 0 0 0 0 0999 V2000 5.2185 6.5552 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0074 5.1083 -0.0071 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3078 4.4071 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 4.4745 0.7442 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1201 4.3890 2.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 3.1607 0.1828 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2953 2.0212 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 1.9680 1.7006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 1.1280 -0.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1737 0.0310 -1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6966 -1.2351 -0.4393 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0196 -1.0369 0.1183 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1064 -1.8287 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 -2.7126 -1.1919 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4274 -1.6582 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7342 -0.7319 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0127 -0.6562 1.6496 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9788 -1.4499 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2933 -1.3662 1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 -2.2199 1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -3.1407 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6032 -3.2326 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6366 -2.3737 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -2.4885 -0.2572 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 -1.6927 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 -0.9701 1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0849 -2.8840 0.6583 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 -3.4823 -0.4325 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3496 -4.3792 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -4.2099 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0894 -5.4304 -0.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0906 -3.7207 0.7432 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 -4.5680 1.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 -2.4692 0.5642 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1519 -1.2938 1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9061 -0.1013 1.9580 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 1.8704 1.4172 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 1.8319 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2899 3.1618 -0.9748 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5627 3.5408 -1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 4.2236 -2.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8828 3.2767 -1.1422 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 3.1152 -2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 4.2162 -0.1869 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 5.5256 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5435 3.9434 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6649 4.4371 1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7044 3.1377 0.0157 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5697 4.1166 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5091 2.6700 1.1175 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 1.5018 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2758 0.6890 2.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0884 1.1933 -0.1433 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4238 0.8654 0.3189 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5162 1.7154 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3102 2.8026 -0.6045 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8675 1.4620 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1922 0.3132 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4696 0.0543 1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4476 0.9523 1.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7586 0.7447 1.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7569 1.6661 1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4071 2.8162 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1020 3.0317 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1030 2.1054 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8483 2.3573 0.2563 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4615 0.0535 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7471 -0.7536 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8706 -2.0223 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 -2.4003 1.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -3.1427 -0.4540 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4196 -3.9180 -1.0470 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4472 -4.3231 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 -5.2421 -1.6445 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1420 -5.9838 -2.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 -6.1303 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 -2.7037 -1.3542 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -2.7264 -2.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -2.2220 -0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3286 -1.5635 -1.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9796 6.5326 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 7.2342 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 6.8998 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 5.2020 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3435 3.3527 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0811 4.8962 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6503 4.6717 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 5.1780 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 5.3482 2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1228 4.0887 2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3308 3.6650 2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 2.9358 0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 0.0160 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4757 -0.0502 -2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7618 -2.0515 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1763 -0.3047 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 -0.0702 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5064 -0.6301 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2530 -2.1745 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6495 -3.8039 -0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3077 -3.9329 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0359 -3.4128 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 -2.6784 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -3.9770 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9788 -5.4249 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3006 -4.4130 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -5.6288 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4098 -4.2987 2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 -4.3792 2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 -2.4719 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.7867 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 -1.6747 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 1.0818 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2793 1.3426 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 3.0558 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 2.2411 -2.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 2.9511 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8008 3.9879 -2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 5.6834 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1494 5.5691 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 6.3485 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4068 2.3453 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5396 4.3089 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 3.7192 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 5.0880 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4956 3.2621 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 2.0584 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5557 -0.0097 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4118 -0.4160 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0136 -0.1801 2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7594 1.4672 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1649 3.5698 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8279 3.9481 -0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 0.4626 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2668 -0.4257 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7734 -3.8699 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0035 -3.4029 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1278 -3.4340 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -4.6304 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0857 -5.0923 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 -5.1345 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8072 -6.5993 -3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9858 -5.3075 -2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5451 -6.7372 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0368 -6.3223 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1772 -7.1257 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3419 -5.7920 -0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 -2.8605 -3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 -3.4445 -3.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 -1.7331 -3.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 42 1 0 42 43 1 0 42 40 1 0 40 41 2 0 40 39 1 0 39 38 1 0 38 37 1 0 37 36 1 0 36 35 1 0 35 34 1 0 34 32 1 0 32 33 1 0 32 30 1 0 30 31 2 0 30 28 1 0 28 29 1 0 28 27 1 0 27 25 1 0 25 26 2 0 25 11 1 0 11 10 1 0 10 9 1 0 9 7 1 0 7 8 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 34 79 1 0 79 80 2 0 79 77 1 0 77 78 1 0 77 71 1 0 71 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 74 76 1 0 71 69 1 0 69 70 2 0 69 68 1 0 68 67 1 0 67 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 2 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 53 51 1 0 51 52 2 0 51 50 1 0 50 48 1 0 48 49 1 0 48 46 1 0 46 47 2 0 46 44 1 0 44 45 1 0 7 6 1 0 24 15 1 0 66 57 1 0 44 39 1 0 23 18 1 0 65 60 1 0 1 81 1 0 1 82 1 0 1 83 1 0 2 84 1 6 3 85 1 0 3 86 1 0 3 87 1 0 4 88 1 1 5 89 1 0 5 90 1 0 5 91 1 0 6 92 1 1 43116 1 0 43117 1 0 43118 1 0 39115 1 6 38113 1 0 38114 1 0 35111 1 0 35112 1 0 34110 1 1 33107 1 0 33108 1 0 33109 1 0 28103 1 6 29104 1 0 29105 1 0 29106 1 0 27102 1 0 11 95 1 6 10 93 1 0 10 94 1 0 12 96 1 0 16 97 1 0 19 98 1 0 20 99 1 0 21100 1 0 22101 1 0 78148 1 0 78149 1 0 78150 1 0 71136 1 1 72137 1 6 73138 1 0 73139 1 0 73140 1 0 74141 1 6 75142 1 0 75143 1 0 75144 1 0 76145 1 0 76146 1 0 76147 1 0 67134 1 0 67135 1 0 53127 1 6 54128 1 0 58129 1 0 61130 1 0 62131 1 0 63132 1 0 64133 1 0 50126 1 0 48122 1 6 49123 1 0 49124 1 0 49125 1 0 45119 1 0 45120 1 0 45121 1 0 M END