RDKit 3D 184183 0 0 0 0 0 0 0 0999 V2000 -4.5170 0.5490 8.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 1.1373 9.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 2.3518 9.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6502 3.0402 8.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 4.2590 7.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 4.9522 6.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 6.1203 6.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 6.6969 4.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5966 6.9034 3.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 7.4458 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6393 7.7799 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2589 8.3173 1.3524 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4734 7.3654 1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7326 9.7007 1.6073 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5689 10.4239 2.0262 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1853 10.4311 0.3670 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2670 9.8210 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0906 10.9850 -0.4866 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6674 11.5966 -1.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0926 10.0039 -0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2037 9.2755 -2.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 8.3341 -2.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1111 7.5283 -3.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9755 6.6376 -3.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 5.7744 -4.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 4.9317 -4.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 4.0347 -5.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 3.3062 -5.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 2.3381 -6.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 1.7117 -5.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 0.7231 -6.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 0.2262 -6.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 0.2200 -7.1043 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7567 -0.1853 -6.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7699 1.1575 -6.2319 S 0 0 1 0 0 6 0 0 0 0 0 0 6.2557 2.0694 -5.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 0.7087 -5.9584 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 2.0541 -7.6492 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -0.7341 -8.2863 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3161 -0.4202 -9.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3388 -2.1483 -7.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -2.8145 -8.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 -2.6702 -6.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 -4.1242 -6.3321 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0555 -5.0003 -7.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7302 -4.3618 -5.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 -5.7282 -4.5048 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2051 -5.9522 -4.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3763 -5.8226 -3.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 -6.8728 -2.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 -6.9002 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5912 -7.1417 0.0419 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9168 -8.3655 0.0681 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 -6.0087 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -6.4779 1.8569 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2553 -6.6993 2.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 -5.7440 2.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -5.6166 1.7997 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8510 -4.9166 2.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 -4.7017 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1161 -4.9788 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -4.1055 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -3.6817 -1.8057 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1428 -4.7737 -2.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 -2.5319 -2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1111 -2.2667 -2.6944 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3793 -1.1806 -3.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -2.2010 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8788 -2.4379 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -2.3264 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 -3.6750 0.9220 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8829 -3.9970 0.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -3.8805 2.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 -5.2365 2.7711 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4374 -6.1936 2.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -5.5342 4.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 -5.5814 4.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 -5.9116 6.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -4.9884 7.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 -4.1032 7.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 -4.1017 7.1716 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 -3.1821 8.5291 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7486 0.3581 10.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 -0.7909 10.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 0.8140 11.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6227 -0.5308 9.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2807 0.5271 7.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4768 1.0290 8.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8042 9.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 2.5638 7.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 4.7201 8.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 4.4284 6.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 6.6741 6.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2623 5.9904 4.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 7.6441 5.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7342 7.5540 4.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 5.9353 3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8145 7.6046 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1765 7.6438 3.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 8.1629 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7317 7.2675 0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2854 7.7243 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2216 6.3474 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 9.7186 2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8354 11.3538 2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6807 11.3889 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0378 9.2876 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8579 10.6558 -0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9321 9.2040 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5534 11.8133 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1306 10.9810 -2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1755 9.8610 -0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0415 9.3501 -2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2805 8.2706 -1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9403 7.5697 -4.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 6.6721 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5618 5.7081 -5.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 5.0687 -3.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 3.8708 -6.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 3.5530 -4.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3162 2.0778 -6.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 2.0698 -5.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 0.3578 -7.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8147 0.7129 -5.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 -0.8451 -5.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7843 1.2276 -7.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8449 3.0325 -7.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4048 -0.7077 -8.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 -1.0780 -9.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -0.6680 -10.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 0.6549 -9.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -2.1423 -5.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 -2.7438 -7.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 -4.0399 -5.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 -5.0441 -7.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 -4.2941 -5.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5896 -3.5561 -4.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 -6.4922 -5.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 -5.1813 -4.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 -4.9633 -2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8266 -7.7396 -2.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0392 -7.7301 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 -5.9791 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 -7.2464 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1009 -8.8942 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 -5.8381 -0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3433 -5.1153 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7646 -7.5428 1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 -5.9472 3.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 -4.7303 2.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 -6.2882 3.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3507 -6.5756 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 -4.0384 2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 -3.8319 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -5.8525 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 -4.7503 -2.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 -3.2672 -1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4163 -3.2997 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 -4.9272 -2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 -1.6119 -2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -2.7944 -3.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -3.2030 -3.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 -0.4858 -2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8983 -1.9148 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 -2.6915 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 -1.5536 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2905 -2.0447 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 -4.4469 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1929 -3.2560 -0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 -3.0607 2.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6564 -3.7420 2.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2693 -5.3838 2.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -6.8807 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 -6.5181 4.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5816 -4.7687 4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -6.3756 4.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0764 -4.6408 4.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -6.9750 6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 -5.9642 6.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 -4.8427 7.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 -3.3546 6.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 -3.3056 9.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 -2.4095 8.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4809 1.7495 11.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 35 34 1 6 35 36 2 0 35 37 2 0 35 38 1 0 33 39 1 0 39 40 1 0 39 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 66 67 1 0 66 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 71 72 1 0 71 73 1 0 73 74 1 0 74 75 1 0 74 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 2 3 80 81 1 0 80 82 1 0 2 83 1 0 83 84 2 0 83 85 1 0 1 86 1 0 1 87 1 0 1 88 1 0 3 89 1 0 4 90 1 0 5 91 1 0 6 92 1 0 7 93 1 0 8 94 1 0 8 95 1 0 9 96 1 0 9 97 1 0 10 98 1 0 11 99 1 0 12100 1 6 13101 1 0 13102 1 0 13103 1 0 14104 1 1 15105 1 0 16106 1 1 17107 1 0 17108 1 0 17109 1 0 18110 1 1 19111 1 0 20112 1 0 21113 1 0 22114 1 0 23115 1 0 24116 1 0 25117 1 0 26118 1 0 27119 1 0 28120 1 0 29121 1 0 30122 1 0 31123 1 0 32124 1 0 32125 1 0 33126 1 6 38127 1 0 39128 1 6 40129 1 0 40130 1 0 40131 1 0 43132 1 0 43133 1 0 44134 1 1 45135 1 0 46136 1 0 46137 1 0 47138 1 6 48139 1 0 49140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 1 53145 1 0 54146 1 0 54147 1 0 55148 1 6 56149 1 0 57150 1 0 57151 1 0 58152 1 6 59153 1 0 60154 1 0 61155 1 0 62156 1 0 62157 1 0 63158 1 1 64159 1 0 65160 1 0 65161 1 0 66162 1 6 67163 1 0 68164 1 0 69165 1 0 70166 1 0 70167 1 0 71168 1 6 72169 1 0 73170 1 0 73171 1 0 74172 1 6 75173 1 0 76174 1 0 76175 1 0 77176 1 0 77177 1 0 78178 1 0 78179 1 0 81180 1 0 81181 1 0 82182 1 0 82183 1 0 85184 1 0 M END