RDKit 3D 181190 0 0 0 0 0 0 0 0999 V2000 -9.0413 -3.3649 -1.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4064 -2.1557 -1.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6764 -1.9471 -0.1019 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7617 -0.7209 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7599 -0.8717 0.9238 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6695 -1.5135 0.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 -0.9249 0.6211 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4370 -1.7368 1.3717 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0377 -2.7687 2.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3611 -2.3173 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -1.1895 -0.2711 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4850 -0.9072 0.3003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5364 -0.8363 -0.6105 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4780 -2.0228 -0.3700 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0849 -2.0134 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 -2.0273 -1.4104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2395 -0.8958 -1.1965 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4241 -0.9808 -1.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 -1.0872 -1.0559 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2403 -2.3753 -1.3047 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5808 -2.3740 -2.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9367 -3.4272 -3.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4382 -2.4365 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2369 -1.1779 -0.5092 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3006 -1.1651 0.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4887 -0.7533 -0.1673 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4426 -1.9505 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8200 -1.4415 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6971 -1.6583 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1106 -1.2448 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4525 -0.3534 0.1291 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3149 0.7986 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7866 0.7171 -1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5212 1.9157 0.6157 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9958 2.3002 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7404 3.1423 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8193 3.7802 1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3664 4.8730 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9622 4.8849 -0.7436 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7997 3.8660 -0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6121 3.6271 -2.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2546 1.4842 2.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0254 0.6680 2.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3685 0.2256 0.9523 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1961 -0.6924 1.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4529 -1.6196 2.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0226 0.1847 1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0846 0.4516 0.4660 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6253 1.2967 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 -0.1449 -0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4752 0.0450 -1.1366 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8346 1.4120 -1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 0.3218 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 0.4631 -0.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4920 1.4962 -1.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 2.5280 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -0.0185 -0.2331 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 -0.4200 -0.6511 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4780 0.8286 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3416 -1.6296 1.9533 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6451 -1.1832 2.2080 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0574 -1.7875 3.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5285 -1.7433 1.1317 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.6777 -1.0267 0.8789 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8470 -1.7077 1.1428 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.6009 -0.9414 2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0718 0.3731 1.6060 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.9934 1.0478 1.0618 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8625 2.3258 1.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0284 0.0061 0.4932 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.6557 1.0700 -0.0994 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0458 0.9629 -0.1118 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.4373 0.7814 -1.4115 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.8549 1.8864 -2.0948 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.7280 2.8333 -2.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1950 3.9442 -3.1452 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0101 2.5951 -1.4495 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.9969 3.9627 -1.7207 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.1152 2.3399 0.0385 C 0 0 2 0 0 0 0 0 0 0 0 0 -18.6617 3.4307 0.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.7567 2.0398 0.6287 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.9882 1.6252 1.9569 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1624 -0.7493 -0.5268 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.0356 -1.1910 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6610 -1.8829 0.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9543 -3.3004 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6546 -3.6288 -2.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1651 -4.2125 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9921 -2.8072 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2478 -0.6867 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3008 0.2114 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5939 0.1201 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 0.0278 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8688 -1.1345 2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -2.4517 3.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7693 -3.1100 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 -2.8053 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -1.3527 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 -0.9875 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 -2.9359 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0538 -2.5638 1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 -1.0189 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 -2.6052 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -0.8863 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 -1.0963 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -3.2130 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8319 -3.3088 -3.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2459 -3.5104 -4.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -4.3661 -2.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -2.5277 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 -3.3521 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5076 -0.8624 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3018 -0.5121 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -2.6812 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3166 -2.5279 -1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3704 -2.2239 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7260 -2.1765 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3859 -0.8196 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0904 -0.9678 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0729 3.3805 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4954 1.7699 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4951 2.0026 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5358 3.4631 2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6443 5.6043 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6348 3.2785 -1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7261 4.6084 -2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0702 2.9657 -2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2096 2.4061 2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1831 0.9713 2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3269 1.2535 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3744 -0.2546 2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 1.1398 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7835 -2.5086 2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3902 -1.0886 3.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4885 -2.0435 2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3772 1.1915 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4568 -0.2355 2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2254 1.0330 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8133 0.7449 -1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0482 -0.0788 -2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4662 1.7525 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 1.4429 -0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6308 2.1233 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 1.2482 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 0.0706 -2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 0.6744 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 2.1246 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 3.0200 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 3.2535 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 -1.1936 -1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 1.5072 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8797 1.3709 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 0.5888 -1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7112 -0.0912 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6542 -2.7211 3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6736 -1.0583 4.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1921 -2.0665 4.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8464 -2.7487 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6698 -2.7266 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9012 -0.7530 3.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4684 -1.5436 2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5449 1.0264 2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8253 2.8680 1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7094 2.2549 2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0643 2.9004 1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7702 -0.7635 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2693 -0.0155 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2248 1.5080 -3.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9826 2.3311 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1817 3.2133 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9266 4.8019 -2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9703 2.2047 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0032 4.4936 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7776 1.4555 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2292 3.1409 1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1945 3.0032 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2591 0.9811 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3827 -0.0687 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1531 -0.4079 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5563 -2.1141 -2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0312 -1.5752 -1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 22 21 1 0 21 20 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 44 1 0 44 43 1 0 43 42 1 0 42 34 1 0 34 35 1 1 34 36 1 0 36 40 2 0 40 41 1 0 40 39 1 0 39 38 1 0 38 37 2 0 34 32 1 0 32 33 2 0 44 45 1 0 45 46 1 1 45 47 1 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 1 0 51 19 1 0 19 18 1 0 18 17 1 0 17 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 54 13 1 0 13 12 1 0 12 11 1 0 11 10 1 0 10 8 1 0 8 9 1 0 8 7 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 1 0 3 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 67 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 74 77 1 0 77 78 1 0 77 79 1 0 79 80 1 0 79 81 1 0 81 82 1 0 70 83 1 0 83 84 1 0 83 85 1 0 63 61 1 0 61 62 1 0 61 60 1 0 7 58 1 0 58 59 1 0 58 57 1 0 13 14 1 0 14 15 1 0 14 16 1 0 19 20 1 0 16 17 1 0 48 26 1 0 57 11 1 0 45 28 1 0 60 5 1 0 32 31 1 0 85 65 1 0 37 36 1 0 81 72 1 0 22107 1 0 22108 1 0 22109 1 0 20106 1 6 23110 1 0 23111 1 0 24112 1 6 26113 1 6 27114 1 0 27115 1 0 29116 1 0 30117 1 0 30118 1 0 31119 1 1 44132 1 6 43130 1 0 43131 1 0 42128 1 0 42129 1 0 35120 1 0 35121 1 0 35122 1 0 41125 1 0 41126 1 0 41127 1 0 38124 1 0 37123 1 0 46133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 1 49139 1 0 51140 1 6 52141 1 0 52142 1 0 52143 1 0 19105 1 1 17104 1 1 53144 1 0 53145 1 0 54146 1 1 56147 1 0 56148 1 0 56149 1 0 13 99 1 6 11 98 1 6 10 96 1 0 10 97 1 0 8 94 1 1 9 95 1 0 7 93 1 1 5 92 1 1 4 90 1 0 4 91 1 0 3 89 1 1 1 86 1 0 1 87 1 0 1 88 1 0 63158 1 1 65159 1 1 66160 1 0 66161 1 0 67162 1 1 69163 1 0 69164 1 0 69165 1 0 70166 1 1 72167 1 1 74168 1 6 75169 1 0 75170 1 0 76171 1 0 77172 1 6 78173 1 0 79174 1 6 80175 1 0 81176 1 1 82177 1 0 83178 1 6 84179 1 0 84180 1 0 84181 1 0 61154 1 1 62155 1 0 62156 1 0 62157 1 0 58150 1 6 59151 1 0 59152 1 0 59153 1 0 14100 1 1 15101 1 0 15102 1 0 15103 1 0 M END