RDKit 3D 115116 0 0 0 0 0 0 0 0999 V2000 4.0574 4.4550 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 5.3128 -1.1509 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 5.5709 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 6.8085 0.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2241 4.5820 0.3329 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0112 5.2443 0.1789 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 3.4004 -0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 2.3023 -0.3375 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0362 2.6149 -0.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 2.1888 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 1.6316 -2.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1391 2.1962 0.0783 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9815 3.5449 0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 3.7106 1.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4766 2.1986 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 1.3393 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6604 1.0397 -2.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0584 0.5343 0.2999 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7999 1.5483 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7436 2.3867 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 1.6258 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4280 3.3486 1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0777 -0.2917 -0.2416 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4599 -1.4638 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6672 -1.8063 0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 -2.6086 -0.3695 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9351 -2.9325 -1.7651 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 -2.3700 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 -3.6010 -0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0096 -3.2197 -0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5748 -2.9584 -2.0909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 -3.1732 0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0157 -4.1182 1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -3.9180 2.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 -5.4466 0.7633 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0846 -6.1852 1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 -6.9859 1.4055 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 -5.6080 1.5692 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6442 -3.8850 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4343 -3.7351 -0.2498 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2511 -2.4185 -0.7272 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -1.4045 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 -0.9367 -0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -0.6067 0.8057 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5779 -0.2936 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 0.2689 1.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6892 0.5266 1.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 1.4785 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0636 1.3471 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 0.0437 -1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0366 -0.1520 -1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5147 -1.4569 -1.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 0.4759 1.1699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 1.7158 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 2.5853 2.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -4.7025 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -4.9087 -2.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4638 -5.3583 -0.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7223 7.5297 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4957 4.4427 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 5.3722 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 2.9982 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 3.7385 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 1.4775 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 2.1585 -3.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 1.3522 0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 4.3097 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9365 3.5996 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 4.5859 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2671 1.6553 -2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3055 0.0351 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0608 2.1665 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3775 1.0133 1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2225 3.0270 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5146 1.2607 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 2.3710 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2802 0.8517 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9568 4.0925 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2495 2.7655 1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7416 3.8189 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5879 -2.1700 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -3.5313 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8975 -3.3344 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9635 -2.0080 -2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -1.5040 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 -2.3009 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 -3.8803 -1.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5877 -4.4780 -0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 -6.0432 0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -5.4891 2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6104 -6.9727 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -3.2763 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.6429 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 -4.0948 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -0.6451 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -1.2944 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7207 0.2996 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -1.2891 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 -0.5163 2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 1.1938 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -0.4935 1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1421 0.8162 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 2.5092 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 1.6763 0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 1.6330 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 2.1092 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9642 -0.8326 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4192 0.1119 -2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5908 0.6644 -1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2674 -0.0830 -0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9088 -1.7973 -2.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5684 -1.3865 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4558 -2.2249 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 2.5024 2.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -4.3303 -2.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 52 51 1 0 51 50 1 0 50 49 1 0 49 48 1 0 48 47 1 0 47 46 1 0 46 45 1 0 45 44 1 0 44 53 1 0 53 54 2 0 54 55 1 0 54 8 1 0 8 7 1 0 7 5 1 0 5 6 1 0 5 3 1 0 3 4 1 0 3 2 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 18 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 40 56 1 0 56 57 1 0 56 58 2 0 42 44 1 0 58 35 1 0 52111 1 0 52112 1 0 52113 1 0 51109 1 0 51110 1 0 50107 1 0 50108 1 0 49105 1 0 49106 1 0 48103 1 0 48104 1 0 47101 1 0 47102 1 0 46 99 1 0 46100 1 0 45 97 1 0 45 98 1 0 44 96 1 1 55114 1 0 8 64 1 6 7 62 1 0 7 63 1 0 5 60 1 1 6 61 1 0 4 59 1 0 2 1 1 0 11 65 1 0 12 66 1 1 13 67 1 0 13 68 1 0 14 69 1 0 17 70 1 0 18 71 1 1 19 72 1 0 19 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 22 80 1 0 25 81 1 0 26 82 1 1 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 35 89 1 6 36 90 1 0 36 91 1 0 39 92 1 0 39 93 1 0 40 94 1 6 43 95 1 0 57115 1 0 M END