RDKit 3D 197200 0 0 0 0 0 0 0 0999 V2000 4.3148 0.2760 2.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 -0.0289 1.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0671 -0.8376 0.7406 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7096 -2.2254 1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4705 -0.3367 -0.5644 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7427 0.1895 -0.8564 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -0.4240 -1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9293 -1.6890 -1.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 0.3155 -1.5339 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3986 1.5611 -0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4937 1.4289 0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5848 0.5563 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2494 -0.5865 1.6877 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9139 0.8920 1.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3597 -0.5199 -1.5203 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6057 -0.0906 -1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7511 1.0709 -2.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8147 -1.0053 -1.9620 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4711 -2.1993 -1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5788 -3.2030 -1.0122 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1398 -4.3865 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2077 -3.6506 -2.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9235 -0.2278 -1.5233 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7230 0.5398 -2.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4699 0.5723 -3.6074 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8910 1.3390 -1.8841 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9735 1.2654 -2.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7100 -0.3257 -2.3465 S 0 0 0 0 0 0 0 0 0 0 0 0 15.2280 -0.0365 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8162 -0.7024 0.5686 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2474 -0.4287 0.6203 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1112 -0.2430 1.8103 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7197 -0.9245 3.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1942 1.2583 1.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3160 0.8237 -0.6696 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4048 0.4354 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 -0.0562 -2.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 1.7512 -0.9157 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 2.7206 -1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 2.3862 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 2.2787 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 2.1247 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 0.9979 0.9584 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4993 1.1848 1.9401 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 1.3674 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6328 0.4632 2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6454 2.5128 1.2667 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7500 3.5973 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5276 4.7116 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8058 4.7736 -1.1912 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9830 5.6628 0.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4876 3.0464 2.3349 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8054 2.7579 2.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0113 2.1250 3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0582 3.0778 1.9084 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6735 4.3297 2.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7354 5.4670 2.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8247 5.6295 3.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8742 6.4092 1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8977 3.2790 0.5095 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2436 2.6066 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1924 2.1124 -1.3045 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4584 2.2943 -1.3724 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.8122 2.5235 -0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4605 1.8712 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5007 2.1283 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3136 1.2264 2.1444 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7704 0.4187 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2768 0.7785 0.0156 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3807 1.0319 -2.1227 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5284 -0.0469 -2.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3039 -0.5350 -3.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7875 -0.8009 -1.1099 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7823 -1.2231 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7883 -2.1946 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8618 -1.9829 -1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8318 -2.9208 -1.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7056 -4.1584 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6134 -4.4122 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6684 -3.4686 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1583 -1.9680 -1.7603 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3924 -3.0241 -1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9864 -4.1998 -1.4306 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -3.1872 -0.7446 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9827 -4.4149 0.1714 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9266 -4.3558 1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2001 -5.6955 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4291 -2.0853 -0.1068 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 -1.9576 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 -1.7580 1.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 -2.0108 -0.5890 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8611 -1.6466 -2.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 -0.3187 -2.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5553 0.1721 -2.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5455 -0.6657 -2.8586 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -1.3537 0.1157 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -0.3312 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1759 -0.5346 2.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 -0.3684 2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 1.3355 2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2219 0.0567 3.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -0.6001 2.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 0.9009 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9555 -1.1710 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7312 -2.1328 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -2.7670 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 -2.8002 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -1.3505 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8128 1.2686 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0800 0.7401 -2.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3047 2.1170 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 2.2477 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7624 2.4623 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5345 1.1936 1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2315 1.8699 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 -1.4772 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9055 -1.2938 -3.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6544 -2.7438 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0148 -1.9569 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3918 -2.7029 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8405 -5.2298 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2653 -4.1108 0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9410 -4.7454 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7170 -4.4806 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2364 -4.0337 -2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3853 -2.7737 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1605 -0.2256 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5745 2.3991 -1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6936 2.0992 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5883 1.1507 -3.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6357 -1.8102 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7404 -1.3560 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5136 0.0446 -0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0640 -0.5789 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4677 -2.0088 2.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2478 -0.5007 3.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8074 -0.7961 3.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8467 1.6829 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6285 1.5188 2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1888 1.7127 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8096 2.1143 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4422 3.7098 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 2.8857 -2.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 1.3989 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 3.1590 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 1.5043 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 3.2302 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 3.0806 1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 2.0047 2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 1.1841 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 1.1578 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1854 2.0756 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 3.2186 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 4.0684 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5466 5.6247 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2576 3.9899 -1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9651 3.7461 2.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7582 2.2551 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9072 4.0509 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5833 4.6681 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2516 7.1836 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3493 4.2197 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4027 3.0580 -2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8631 3.6925 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5251 2.4782 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0014 2.9353 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4624 -0.4191 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5130 0.3121 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2215 0.9432 -2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9618 -0.2755 -0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3583 -0.2716 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3143 -1.4795 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9975 -1.0329 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6708 -2.7316 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4272 -4.9310 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5778 -5.4170 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8232 -3.6892 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3728 -1.9628 -2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -3.4938 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9327 -4.4339 0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3806 -4.6581 2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2043 -3.2757 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8279 -4.9798 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4768 -6.4819 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0974 -5.5341 -1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2048 -6.1517 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0244 -1.2612 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6126 -3.1367 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4956 -2.3806 -2.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 -1.9092 -2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1203 -0.3581 -3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 0.4792 -2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8031 0.3086 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 1.1901 -2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0974 -0.1576 -3.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 -1.4982 -3.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8026 -1.7556 -0.1649 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 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 9 15 1 0 15 16 1 0 16 17 2 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 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 29 35 2 0 5 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 47 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 55 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 2 0 68 69 1 0 63 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 73 74 1 0 74 75 1 0 75 76 2 0 76 77 1 0 77 78 2 0 78 79 1 0 79 80 2 0 73 81 1 0 81 82 1 0 82 83 2 0 82 84 1 0 84 85 1 0 85 86 1 0 85 87 1 0 84 88 1 0 88 89 1 0 89 90 2 0 89 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 94 95 1 0 91 96 1 0 96 97 1 0 97 98 2 0 35 26 1 0 97 43 1 0 69 65 1 0 80 75 1 0 1 99 1 0 1100 1 0 1101 1 0 2102 1 0 2103 1 0 3104 1 6 4105 1 0 4106 1 0 4107 1 0 5108 1 6 6109 1 0 9110 1 6 10111 1 0 10112 1 0 11113 1 0 11114 1 0 14115 1 0 15116 1 0 18117 1 6 19118 1 0 19119 1 0 20120 1 1 21121 1 0 21122 1 0 21123 1 0 22124 1 0 22125 1 0 22126 1 0 23127 1 0 26128 1 1 27129 1 0 27130 1 0 30131 1 6 31132 1 0 31133 1 0 32134 1 6 33135 1 0 33136 1 0 33137 1 0 34138 1 0 34139 1 0 34140 1 0 38141 1 0 39142 1 0 39143 1 0 40144 1 0 40145 1 0 41146 1 0 41147 1 0 42148 1 0 42149 1 0 43150 1 6 44151 1 0 47152 1 6 48153 1 0 48154 1 0 50155 1 0 50156 1 0 52157 1 0 55158 1 6 56159 1 0 56160 1 0 59161 1 0 60162 1 0 63163 1 6 64164 1 0 64165 1 0 66166 1 0 68167 1 0 69168 1 0 70169 1 0 73170 1 1 74171 1 0 74172 1 0 76173 1 0 77174 1 0 78175 1 0 79176 1 0 80177 1 0 81178 1 0 84179 1 6 85180 1 1 86181 1 0 86182 1 0 86183 1 0 87184 1 0 87185 1 0 87186 1 0 88187 1 0 91188 1 6 92189 1 0 92190 1 0 93191 1 0 93192 1 0 94193 1 0 94194 1 0 95195 1 0 95196 1 0 96197 1 0 M END