RDKit 3D 143148 0 0 0 0 0 0 0 0999 V2000 0.1008 -0.1935 2.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -0.6734 1.5372 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 -1.2175 -0.0988 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2278 -0.0041 -1.2089 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 1.5277 -0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 2.4282 0.1734 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4141 3.1460 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 3.7010 2.1752 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8179 3.2731 1.1827 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4822 3.0384 2.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 3.6102 0.1054 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2423 5.0128 0.4175 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1844 5.4403 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1411 6.0391 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 2.7446 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4887 2.9770 -1.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 1.8052 0.7447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 0.5001 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8335 -0.5358 0.2589 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2175 -0.4406 0.7578 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 -0.2213 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9236 -0.1211 -1.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6790 -0.0883 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5392 0.1298 -0.9256 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8494 0.2664 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6843 0.4831 -1.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0412 0.6228 -1.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6083 0.5530 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8202 0.3404 0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4480 0.2010 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6061 -0.0170 1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2401 -0.1601 1.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4382 -0.3834 2.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -1.8835 0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 -2.5575 1.4157 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 -2.4548 -0.3871 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -1.7402 -1.5228 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8913 -1.8394 -2.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 -2.2070 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 -2.1173 -3.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 -2.7523 -1.4163 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4027 -3.7381 -2.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 -2.4149 -0.0670 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4076 -3.6013 0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -4.5188 0.5933 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5512 -3.9813 1.3276 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3632 -4.3886 2.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9263 -4.0435 0.8685 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3980 -5.4069 0.4713 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5833 -6.0033 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 -6.4362 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8247 -3.3502 1.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0011 -3.7417 3.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5574 -2.2006 1.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 -1.9986 0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 -0.5297 0.0305 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8023 -0.1785 -0.0119 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4982 0.1045 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8726 0.0480 -2.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9110 0.4604 -1.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5484 0.7368 -2.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8407 1.0661 -2.4477 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5732 1.1418 -1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9206 1.4857 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6273 1.5504 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9996 1.2738 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6651 0.9335 1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9415 0.8646 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6391 0.5352 -0.1049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6841 0.3490 0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5556 -0.0482 2.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1187 1.6042 0.6859 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5571 1.9862 -0.5870 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6529 2.2912 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 3.2218 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4229 4.3092 -0.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 3.3146 -0.5167 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 4.4071 -1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 -1.0718 2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 0.3512 3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 0.4140 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 -1.5535 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 1.3817 -0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 2.1259 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 1.7379 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 3.2564 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 3.7233 3.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 2.0229 2.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1931 3.7310 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8255 4.9716 1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2477 6.5548 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7838 5.1403 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2231 5.0955 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 6.2962 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 6.9882 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 5.7332 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 0.1987 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4202 0.3376 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8747 -0.3227 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 -0.5408 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 0.5337 -2.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6699 0.7926 -2.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6842 0.6638 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2224 0.2768 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0136 -0.0809 2.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8559 -0.3956 3.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 -3.3928 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 -0.6466 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8205 -2.2893 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 -0.8634 -3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5341 -2.5560 -3.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 -3.7314 -3.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 -4.7318 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 -3.5292 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -2.0394 0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 -5.0676 3.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 -3.4928 3.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -4.9504 2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 -3.4358 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -5.3176 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 -7.0564 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -5.5139 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -6.1322 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1367 -7.2685 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 -6.1529 2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5659 -6.9700 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3246 -2.4213 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 -2.5923 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -0.4211 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 -0.1368 0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9532 0.6756 -3.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4020 1.6988 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6801 1.8170 -0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5721 1.3299 1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2055 0.7251 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1016 2.3155 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 1.1766 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6351 2.3131 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5055 3.2665 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 1.5227 -2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 4.0424 -1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 4.9073 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3923 5.2208 -0.6047 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 11 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 19 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 48 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 2 0 56 70 1 0 70 71 2 0 70 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 75 76 2 0 75 77 1 0 77 78 1 0 43 3 1 0 69 60 1 0 77 6 1 0 32 23 1 0 68 63 1 0 30 25 1 0 1 79 1 0 1 80 1 0 1 81 1 0 3 82 1 6 5 83 1 0 5 84 1 0 6 85 1 1 10 86 1 0 10 87 1 0 10 88 1 0 11 89 1 6 12 90 1 1 13 91 1 0 13 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 14 96 1 0 18 97 1 0 18 98 1 0 19 99 1 6 20100 1 0 26101 1 0 27102 1 0 28103 1 0 29104 1 0 31105 1 0 33106 1 0 36107 1 0 37108 1 1 38109 1 0 38110 1 0 38111 1 0 42112 1 0 42113 1 0 42114 1 0 43115 1 1 47116 1 0 47117 1 0 47118 1 0 48119 1 6 49120 1 6 50121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 51126 1 0 55127 1 0 55128 1 0 56129 1 6 57130 1 0 61131 1 0 64132 1 0 65133 1 0 66134 1 0 67135 1 0 72136 1 0 73137 1 6 74138 1 0 74139 1 0 74140 1 0 78141 1 0 78142 1 0 78143 1 0 M END