RDKit 3D 115118 0 0 0 0 0 0 0 0999 V2000 -8.9291 5.7087 1.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0142 4.3133 1.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9143 3.4829 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7672 3.9677 1.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0849 2.0131 1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7923 1.3169 1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1979 1.2643 3.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 0.7086 0.8232 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9753 0.0182 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7052 -0.4819 -0.5393 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8546 -1.4008 -0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0038 -2.5846 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1749 -3.3904 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2152 -3.6106 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3536 -4.4044 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2732 -3.0802 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 -1.2143 -0.7304 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3419 -1.6230 -2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 -0.9462 -2.6622 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6295 -1.6507 -3.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -1.0805 -1.4513 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8967 -2.5285 -1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -0.2082 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 -0.0842 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1272 -0.6452 1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5881 -0.9237 0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -0.5180 -0.3824 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1721 0.9615 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.6437 0.0386 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5179 1.8610 0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 -0.2521 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -0.1690 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 1.2507 -0.0032 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9266 1.2321 -0.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8987 1.9505 0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5192 2.6645 1.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3231 1.9511 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 0.9400 0.7443 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5927 1.0937 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0636 1.0898 2.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7176 -0.4451 0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 -1.5262 0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2340 -1.8870 2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4843 -2.2306 0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2249 -3.2639 0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 1.6340 -1.2224 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5760 1.1623 -2.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6145 3.1172 -1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 0.8902 -1.2794 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4277 1.5916 -2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 0.4555 -2.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0401 6.2191 2.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9239 6.0200 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7138 6.1134 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7135 1.8155 2.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6581 1.6686 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0486 -0.7713 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 0.7360 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7605 0.3544 -1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8065 -0.7998 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8842 -1.6773 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 -3.2541 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2727 -2.2381 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1165 -3.7682 -1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5689 -4.1852 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1863 -5.5037 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2735 -4.1763 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2271 -3.3793 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3954 -3.3990 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2952 -1.9573 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4259 -2.1806 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2201 -2.7133 -2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1373 -1.2081 -2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 0.1168 -2.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 -1.7693 -3.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -3.0671 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 -3.1038 -2.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 -2.6322 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 -1.5745 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 0.0475 1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -2.0159 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -0.4268 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 1.4108 0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 1.3634 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0368 1.3939 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 2.2235 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 2.7166 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 1.6519 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 0.0372 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 -1.3015 0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 -0.5836 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2786 -0.7809 -0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4346 1.9425 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 1.8059 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7786 2.9533 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 0.3527 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9316 2.1352 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5985 1.0559 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7544 0.5340 2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6322 -0.5949 0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 -0.5364 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6825 -3.7540 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 -4.0880 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2011 -2.9198 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 1.7128 -3.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4133 0.0748 -2.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 1.3263 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 3.5392 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5754 3.4585 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 3.6513 -0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 -0.1270 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8571 2.3570 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 1.9555 -3.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1847 -0.2146 -3.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2749 0.8242 -3.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 10 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 1 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 1 24 29 1 0 29 30 1 1 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 1 38 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 33 46 1 0 46 47 1 6 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 27 17 1 0 49 29 1 0 27 21 1 0 51 23 1 0 1 52 1 0 1 53 1 0 1 54 1 0 5 55 1 0 5 56 1 0 9 57 1 0 9 58 1 0 10 59 1 6 11 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 15 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 16 70 1 0 17 71 1 1 18 72 1 0 18 73 1 0 19 74 1 6 20 75 1 0 22 76 1 0 22 77 1 0 22 78 1 0 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 28 83 1 0 28 84 1 0 28 85 1 0 30 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 1 37 94 1 0 37 95 1 0 39 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 41100 1 0 41101 1 0 45102 1 0 45103 1 0 45104 1 0 47105 1 0 47106 1 0 47107 1 0 48108 1 0 48109 1 0 48110 1 0 49111 1 6 50112 1 0 50113 1 0 51114 1 0 51115 1 0 M END