RDKit 3D 121122 0 0 0 0 0 0 0 0999 V2000 -8.9720 -1.0626 3.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1292 -1.8340 2.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4162 -2.7816 2.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0745 -1.5894 0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2584 -2.3713 -0.0091 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3019 -1.6407 -0.8739 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3421 -1.0017 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -1.4227 -0.4443 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4422 -2.2037 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 -2.6186 0.3585 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1936 -0.3746 -1.0386 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7875 0.1341 -2.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 0.6246 -0.1344 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0170 -0.0115 0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 1.7640 0.3080 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5173 1.3213 1.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5358 0.8603 2.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8197 0.4575 3.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 0.7761 2.9914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 2.1564 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4405 2.0188 -1.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 2.6987 -2.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7572 2.9930 0.6995 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7701 4.1168 0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 2.9661 1.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 4.2080 1.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 4.6263 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 3.7282 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 3.4050 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 2.5266 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 3.2716 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.5164 -1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 2.2134 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 1.4173 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6761 0.0041 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 -0.8180 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8772 -0.9057 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 -1.6032 1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7327 -1.6112 1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3820 -2.3218 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8131 -1.5031 -0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3985 -2.0485 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5501 -3.4030 -2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1205 -4.2351 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3070 -5.5690 -1.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5224 -3.6736 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1112 -4.5293 1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2915 -5.7860 1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 -4.1083 2.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9096 -0.7559 -1.7602 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8699 -1.3136 -2.5558 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5952 -0.2290 -3.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7204 0.4927 -4.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7997 -2.2635 -1.8714 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6026 -2.9804 -2.7493 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1174 -3.2244 -0.9501 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0403 -3.9740 -0.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0637 -1.2981 2.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8408 0.0290 2.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7615 -1.4080 4.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7145 -3.1022 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7884 -2.3767 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -2.2047 -1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 -3.1604 0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4291 -1.6939 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -2.9942 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 -0.9711 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7228 -0.5520 -2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 1.1271 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -0.1657 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6425 0.7552 2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8461 1.0589 4.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7649 -0.6319 3.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 2.5418 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 3.3323 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 3.9968 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2626 4.0769 1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3108 5.1209 0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 2.9528 2.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 2.1055 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 5.0896 2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1608 3.9957 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 5.0009 -0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 5.5743 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 2.8004 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 4.3070 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 4.3059 1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 2.7751 1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.7162 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 2.0473 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 3.5412 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 4.2923 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 1.6305 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 3.1443 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8101 1.7507 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 3.2205 -0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8351 1.9119 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3034 1.2674 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8897 -0.4614 1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5782 -0.0549 0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2554 -0.4562 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 -1.8686 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3124 -1.5661 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 0.0618 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8757 -2.6443 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7189 -1.1256 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0249 -0.4989 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9895 -1.9602 2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 -0.4268 -0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 -1.4107 -2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -3.8512 -2.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1518 -6.3683 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8843 -4.6529 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3276 -1.9154 -3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3621 -0.6571 -4.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1969 0.4366 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1199 1.0124 -3.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4925 -1.6599 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5469 -3.0502 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4411 -3.8746 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8578 -3.4446 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 24 23 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 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 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 2 0 46 47 1 0 47 49 1 0 47 48 2 0 23 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 17 19 2 0 15 13 1 0 13 14 1 0 13 11 1 0 11 12 1 0 11 8 1 0 8 9 1 0 9 10 1 0 8 7 1 0 7 6 1 0 6 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 51 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 15 20 1 0 20 22 1 0 20 21 2 0 46 40 1 0 5 6 1 0 24 76 1 0 24 77 1 0 24 78 1 0 23 75 1 6 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 41109 1 0 42110 1 0 43111 1 0 45112 1 0 49113 1 0 18 71 1 0 18 72 1 0 18 73 1 0 13 69 1 6 14 70 1 0 11 67 1 6 12 68 1 0 8 63 1 6 9 64 1 0 9 65 1 0 10 66 1 0 6 62 1 6 51114 1 6 52115 1 0 52116 1 0 53117 1 0 54118 1 1 55119 1 0 56120 1 6 57121 1 0 5 61 1 1 1 58 1 0 1 59 1 0 1 60 1 0 22 74 1 0 M END