RDKit 3D 197200 0 0 0 0 0 0 0 0999 V2000 17.3034 1.9081 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5580 0.9755 -1.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8494 -0.0622 -1.0813 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8759 -0.8207 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0685 -1.0342 -1.9245 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0644 -0.3592 -2.7014 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4968 -2.0810 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2808 -2.3368 -0.8967 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8553 -3.3432 -0.0495 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6302 -2.9291 0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2588 -3.6648 1.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9131 -1.7520 0.4247 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7568 -1.2841 1.1446 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9888 -0.0679 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4071 1.1728 1.2617 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5477 2.2459 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7032 1.1304 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5192 -1.2246 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4732 -1.6905 -0.8538 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3692 -0.6245 0.8462 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0835 -0.5168 0.0817 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3571 0.5796 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 0.8353 -1.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8576 -0.3395 -2.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -1.2201 -2.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3535 -0.4426 -4.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -0.1452 1.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4688 0.0065 2.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6941 0.0902 0.8734 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.4915 2.0171 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5940 -0.2265 2.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9291 -0.4054 1.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 -0.6991 3.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 -1.3664 3.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 -0.6513 3.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 -0.1481 2.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1977 -1.1837 1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -0.5292 0.1746 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0434 0.1205 0.4859 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3617 1.3931 0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 1.4822 2.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 2.7396 0.3988 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6486 3.1914 0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 4.5476 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 5.2550 0.7756 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 5.0412 -0.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0026 3.7360 0.7895 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2023 4.1743 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2751 5.4227 -0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4579 3.4382 -0.0206 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5883 4.4296 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4024 5.3653 -1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3697 6.6213 -1.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2544 5.0065 -2.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3761 2.5191 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3593 1.7109 -1.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4827 1.8502 -2.9855 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2639 0.7476 -1.1505 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.1021 0.1010 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9694 0.9885 -2.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7616 0.5361 -4.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4069 1.6189 -4.5074 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0626 2.6878 -3.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1674 2.2999 -2.8402 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0870 1.0283 -0.0144 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9703 0.7501 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7100 1.4829 2.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1602 -0.2256 2.0919 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8799 -1.1578 2.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8875 -2.0577 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5931 -3.3447 2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5177 -4.2093 1.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8132 -3.7714 1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1474 -2.4686 1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1856 -1.6283 2.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9324 -0.6033 1.4576 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3163 -1.8171 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3689 -2.1675 1.9955 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5521 -2.7898 0.0674 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9992 -4.1377 0.4226 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2881 -5.1165 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5751 -4.1859 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1686 -2.2810 -1.2187 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -1.8003 -1.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0733 -0.4979 -2.1088 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 -2.3487 -2.4036 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5608 -2.1095 -3.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4588 -0.8623 -4.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 0.1822 -4.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4521 0.8059 -2.9964 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6976 -2.3580 -1.5018 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -1.4800 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6232 -1.4576 -1.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 2.0107 1.9187 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9325 2.7010 1.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 2.3205 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8945 -3.6601 1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3753 -3.2318 0.0055 S 0 0 0 0 0 0 0 0 0 0 0 0 18.3838 1.6476 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1405 2.9588 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8874 1.8222 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2598 0.4030 -2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8559 1.5677 -2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1144 0.4754 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4750 -1.0643 0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2389 -1.7135 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7665 -0.1395 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7871 -1.5050 -2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1830 -0.4443 -3.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1158 -0.7117 -2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6268 -4.2449 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2869 -1.2079 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5464 -2.1109 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1189 0.1461 2.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8105 -0.3432 2.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6378 1.5650 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7144 2.0788 3.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4227 3.2305 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5474 2.1606 2.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2171 2.1319 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4301 0.3954 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5598 1.1166 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3843 -0.2369 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 -1.4275 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 1.5183 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2694 0.2758 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 1.3399 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 1.6104 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 -1.3613 -4.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -0.0181 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.3739 2.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 -0.5028 4.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.3708 3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -1.6927 4.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 0.1680 4.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 -1.3558 4.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8935 0.3353 2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 0.7377 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0316 -1.8125 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3516 -1.8005 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 0.3229 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9101 -0.5212 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 2.7103 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 2.5204 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5473 3.0841 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 6.1675 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 4.8865 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7324 4.2522 1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7881 2.8074 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6598 4.9795 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5256 3.8474 -0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7974 5.5095 -3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3982 2.4996 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6265 -0.1375 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7200 -0.7461 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3908 -0.3773 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8110 -0.4854 -4.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4235 3.7184 -3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7495 2.9756 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9622 1.5535 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6887 0.5027 2.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3702 -0.6502 3.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0717 -1.7628 3.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5654 -3.7165 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2180 -5.2353 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5210 -4.4739 1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1750 -2.1701 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4809 -0.6223 2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2916 0.2562 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6815 -2.9431 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5963 -4.5416 1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3722 -5.1140 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6434 -4.9873 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -6.1610 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4725 -4.3591 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0303 -3.2576 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1089 -5.0568 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0857 -2.2539 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -3.5087 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -2.7080 -4.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6393 -2.7375 -4.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 -1.1128 -5.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5069 -0.3832 -4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4749 0.9778 -5.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4334 -0.2648 -4.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0215 1.6861 -3.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 1.1047 -2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 -3.4086 -1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 2.2852 2.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 2.4728 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5613 2.3107 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 3.7989 1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 3.1818 0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7645 2.6555 0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8486 1.4772 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8170 -2.9550 1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9104 -4.7127 1.3119 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 1 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 13 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 21 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 2 0 42 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 50 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 63 64 1 0 58 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 68 69 1 0 69 70 1 0 70 71 2 0 71 72 1 0 72 73 2 0 73 74 1 0 74 75 2 0 68 76 1 0 76 77 1 0 77 78 2 0 77 79 1 0 79 80 1 0 80 81 1 0 80 82 1 0 79 83 1 0 83 84 1 0 84 85 2 0 84 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 1 0 86 91 1 0 91 92 1 0 92 93 2 0 30 94 1 0 94 95 1 0 94 96 1 0 9 97 1 0 97 98 1 0 98 7 1 0 92 38 1 0 64 60 1 0 75 70 1 0 1 99 1 0 1100 1 0 1101 1 0 2102 1 0 2103 1 0 3104 1 1 4105 1 0 4106 1 0 4107 1 0 5108 1 6 6109 1 0 6110 1 0 9111 1 6 12112 1 0 13113 1 1 14114 1 0 14115 1 0 15116 1 6 16117 1 0 16118 1 0 16119 1 0 17120 1 0 17121 1 0 17122 1 0 20123 1 0 21124 1 6 22125 1 0 22126 1 0 23127 1 0 23128 1 0 26129 1 0 29130 1 0 30131 1 1 33132 1 0 34133 1 0 34134 1 0 35135 1 0 35136 1 0 36137 1 0 36138 1 0 37139 1 0 37140 1 0 38141 1 6 39142 1 0 42143 1 6 43144 1 0 43145 1 0 45146 1 0 45147 1 0 47148 1 0 50149 1 1 51150 1 0 51151 1 0 54152 1 0 55153 1 0 58154 1 1 59155 1 0 59156 1 0 61157 1 0 63158 1 0 64159 1 0 65160 1 0 68161 1 1 69162 1 0 69163 1 0 71164 1 0 72165 1 0 73166 1 0 74167 1 0 75168 1 0 76169 1 0 79170 1 6 80171 1 1 81172 1 0 81173 1 0 81174 1 0 82175 1 0 82176 1 0 82177 1 0 83178 1 0 86179 1 6 87180 1 0 87181 1 0 88182 1 0 88183 1 0 89184 1 0 89185 1 0 90186 1 0 90187 1 0 91188 1 0 94189 1 1 95190 1 0 95191 1 0 95192 1 0 96193 1 0 96194 1 0 96195 1 0 97196 1 0 97197 1 0 M END