RDKit 3D 149160 0 0 0 0 0 0 0 0999 V2000 3.6589 -6.5261 1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 -5.4620 1.6071 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 -4.1566 1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1214 -3.6725 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 -3.3935 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1748 -2.0868 0.2643 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -1.4382 -0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 -0.2435 -1.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 -2.1005 -1.9780 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6290 -2.2445 -3.2756 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 -0.9364 -3.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 -2.8948 -4.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7879 -3.4311 -1.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7763 -3.7551 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9936 -5.0342 -0.4623 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 -2.8233 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4617 -3.2401 1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -1.7728 1.7351 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2761 -0.6979 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5567 -1.5312 0.0484 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4482 0.7432 0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6263 1.0882 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 2.3810 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1985 2.6466 -1.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1831 3.3848 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4591 4.8144 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7163 5.8479 -0.0506 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0836 7.0565 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2422 8.2145 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9455 8.0460 0.4714 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6312 9.3618 -0.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2783 7.1953 -1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7876 5.5446 -1.1494 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0686 3.0948 0.5974 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 1.7887 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 1.8101 1.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 2.4099 3.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 2.2258 3.5234 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 1.3959 2.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 1.3133 1.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8165 0.9264 1.8185 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0430 2.2079 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 2.4833 0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 3.5863 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 4.3816 -1.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2526 3.8869 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 5.0309 0.7453 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0106 4.8798 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8943 5.7470 1.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 5.2845 2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4575 3.9619 1.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5699 3.0765 1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3492 3.5655 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 2.9582 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 1.5983 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 0.5583 0.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 -0.4693 -0.1801 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0684 -1.1379 0.5615 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3038 -0.9214 -0.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8985 -2.1329 -0.4226 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1795 -2.2219 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3915 -1.8559 -0.4363 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5475 -1.6615 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5764 -2.9280 -1.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0085 -0.5756 -1.1484 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0057 0.1574 -1.7271 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8682 -0.2403 -2.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9692 1.5794 -1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8116 -0.8408 -1.9956 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0303 -0.6657 -3.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2637 -2.1160 -1.7567 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 -0.4775 1.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 -1.1777 2.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5603 0.8315 2.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0497 1.6898 1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 -1.3520 -0.4672 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9758 -2.1884 -1.5807 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 -3.5119 -1.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 -4.2568 -2.3572 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -4.1748 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1128 -5.4445 -2.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6514 -5.5496 -1.2858 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6855 -4.0267 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -3.5274 -0.8293 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 -1.9891 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 -1.3377 1.5012 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0742 -1.8348 2.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 -3.0610 2.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -3.4000 1.7240 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0678 -0.9828 3.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 -1.5592 4.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3058 0.3711 3.1002 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -6.6550 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2593 -6.3688 2.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -7.4503 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.8320 3.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4941 -2.6654 2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9747 -4.3711 2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 -1.5476 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 -1.5248 -2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 -2.8895 -3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -0.3041 -3.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -1.1878 -4.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 -0.3637 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 -2.7760 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 -4.2797 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6462 -4.2701 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3315 0.2891 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 1.8605 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 8.8159 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 7.0935 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7559 8.1221 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 2.9054 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 0.2214 1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 3.0607 1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 2.1933 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 5.9770 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5911 6.7832 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8699 5.9600 2.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4597 3.5758 2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7257 1.5036 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 1.4584 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 -0.0689 -1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 -2.2055 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 -2.9517 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0691 -1.5502 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2688 -3.2583 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2254 -1.3902 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1474 -2.5982 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1779 -0.8088 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2861 -3.7963 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5929 0.0633 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6729 -1.1023 -3.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0138 0.6267 -3.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9221 -0.3511 -2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8265 2.0560 -2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0405 1.9920 -1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0340 1.8025 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -0.1378 -1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0541 -0.4043 -3.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4597 -1.5432 -3.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6907 0.2022 -3.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1775 1.6361 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9109 1.3517 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9505 -0.6241 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5088 -1.6675 -2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 -6.1486 -2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 -3.6407 3.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1389 1.1177 3.8548 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 2 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 10 12 1 0 9 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 28 32 2 0 32 33 1 0 25 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 62 64 1 6 62 65 1 0 65 66 1 0 66 67 1 0 66 68 1 0 65 69 1 0 69 70 1 0 69 71 1 0 58 72 1 0 72 73 2 0 72 74 1 0 74 75 1 0 57 76 1 0 76 77 1 0 77 78 1 0 78 79 2 0 78 80 1 0 80 81 2 0 81 82 1 0 82 83 1 0 83 84 2 0 76 85 1 0 85 86 2 0 86 87 1 0 87 88 2 0 88 89 1 0 87 90 1 0 90 91 2 0 90 92 1 0 83 5 1 0 89 85 1 0 20 16 1 0 35 21 1 0 40 36 1 0 92 41 1 0 33 26 1 0 54 46 2 0 71 60 1 0 84 80 1 0 53 48 1 0 75 52 1 0 1 93 1 0 1 94 1 0 1 95 1 0 4 96 1 0 4 97 1 0 4 98 1 0 6 99 1 0 9100 1 6 10101 1 1 11102 1 0 11103 1 0 11104 1 0 12105 1 0 13106 1 0 17107 1 0 22108 1 0 24109 1 0 30110 1 0 30111 1 0 32112 1 0 37113 1 0 41114 1 6 42115 1 0 42116 1 0 47117 1 0 49118 1 0 50119 1 0 51120 1 0 55121 1 0 55122 1 0 57123 1 6 58124 1 1 60125 1 6 61126 1 0 61127 1 0 63128 1 0 63129 1 0 63130 1 0 64131 1 0 65132 1 1 67133 1 0 67134 1 0 67135 1 0 68136 1 0 68137 1 0 68138 1 0 69139 1 1 70140 1 0 70141 1 0 70142 1 0 75143 1 0 75144 1 0 76145 1 6 77146 1 0 81147 1 0 88148 1 0 92149 1 0 M END