RDKit 3D 88 89 0 0 0 0 0 0 0 0999 V2000 2.5541 1.7475 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9768 0.4255 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3587 0.0378 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3411 0.8509 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 0.4592 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7636 1.2130 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6096 2.5673 1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1430 0.7160 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1868 1.4246 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5817 1.0918 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5075 2.1672 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8492 2.0026 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3987 0.7343 0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8409 0.6571 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4317 -0.4317 0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6406 1.7983 0.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5317 -0.3166 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0330 -1.6789 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1349 -0.1303 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2983 -1.3653 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0414 -0.4725 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 -0.1503 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 -0.9964 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 -0.5302 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7859 -1.2706 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -2.6568 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1117 -0.6686 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2349 -1.3208 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 -0.6522 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7046 -1.1934 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7870 -2.6058 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9288 -0.3741 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1500 -0.8416 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3663 -0.0609 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3104 1.2664 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4351 2.0596 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6656 1.4740 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8516 2.3021 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7125 3.5056 0.7232 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1078 1.8163 0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7751 0.1600 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0920 -0.4586 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6004 -0.6041 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7752 -1.9933 -0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 2.4818 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8472 2.2047 0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 1.5835 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 -0.9482 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 1.8327 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 -0.5672 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 2.6863 2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 3.2893 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6166 2.8933 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 -0.2358 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9644 2.4231 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1228 3.1608 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5449 2.8562 0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4042 2.5807 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1999 -2.2053 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8823 -1.6383 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3600 -2.2518 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9924 -2.1828 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5648 -1.3035 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8702 -1.6864 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 -1.4406 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 0.8660 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.9749 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 0.4963 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 -2.7114 -1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4523 -2.9422 -1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5289 -3.3968 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2113 0.3792 0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1851 -2.3382 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5167 0.3916 0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9360 -2.7076 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8925 -3.2118 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6957 -3.0427 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7950 0.6651 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1900 -1.8804 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3707 1.7364 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3959 3.0929 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8284 2.3569 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6110 0.0602 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7887 -0.4149 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9939 -1.5166 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4599 -2.4745 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2984 -2.0537 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8950 -2.6154 -0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 2 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 38 40 1 0 37 41 1 0 41 42 1 0 41 43 2 0 43 44 1 0 19 10 1 0 43 34 1 0 1 45 1 0 1 46 1 0 1 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 7 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 9 55 1 0 11 56 1 0 12 57 1 0 16 58 1 0 18 59 1 0 18 60 1 0 18 61 1 0 20 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 22 66 1 0 23 67 1 0 24 68 1 0 26 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 28 73 1 0 29 74 1 0 31 75 1 0 31 76 1 0 31 77 1 0 32 78 1 0 33 79 1 0 35 80 1 0 36 81 1 0 40 82 1 0 42 83 1 0 42 84 1 0 42 85 1 0 44 86 1 0 44 87 1 0 44 88 1 0 M END