RDKit 3D 164173 0 0 0 0 0 0 0 0999 V2000 12.2311 4.4714 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7402 3.8094 0.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8670 2.4410 0.1806 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5201 1.7480 0.1759 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9162 2.1075 -1.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7386 0.2696 0.3050 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2053 -0.2429 1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1871 -1.1091 1.2078 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8113 -0.6058 1.6828 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6205 0.7302 1.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8177 -1.4924 0.9228 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5452 -0.9901 0.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 -0.7391 -0.4202 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9384 0.7095 -0.6902 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8214 0.8650 -2.0913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 1.0705 -0.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3382 2.4164 -0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 0.2634 -0.9931 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3249 0.6851 -1.0658 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 0.7486 -2.3434 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3652 -0.0499 -2.6562 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5541 -1.1382 -1.8667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -1.2479 -1.3186 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5449 -2.4600 -1.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0122 -2.1040 -1.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3655 -1.8971 -0.2972 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5124 -3.2662 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7267 -1.2631 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4649 -1.1518 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8337 -0.5480 -1.3416 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7138 0.5754 -2.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3908 -0.2732 0.0047 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1313 -1.3710 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7034 -2.4965 0.9837 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4928 -1.0175 0.7308 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7031 0.1691 -0.0062 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.9316 -0.2332 -1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9221 0.9076 0.3832 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.1701 2.1341 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0563 2.9689 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1030 2.2140 1.7296 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.3876 1.4551 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9636 3.2228 2.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0505 1.3017 1.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3955 0.8620 0.0730 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0854 1.5688 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9882 0.7522 2.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2471 0.2648 0.8542 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6674 1.4814 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2191 -0.7719 1.1256 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1172 -0.2021 1.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8306 -1.0007 1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 -0.9869 0.4270 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9663 -1.1783 0.1537 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3052 0.1009 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3668 -2.3115 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -0.2813 -4.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 0.8822 -4.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4885 1.9556 -4.3810 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7737 1.7962 -4.9531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 2.1812 -2.8887 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8427 2.8745 -2.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 -1.0589 -0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -1.5392 -0.8828 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0898 -2.9963 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3269 -3.5076 -1.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 -2.7355 1.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 -3.3183 1.3138 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1323 -4.6787 1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 -4.5633 3.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3194 -2.4873 1.7711 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4663 -3.1535 1.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0334 -0.1508 0.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0161 0.4112 0.8116 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5552 -0.4947 1.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5411 0.1595 2.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6760 1.7969 1.3096 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8135 2.5486 1.5935 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 4.1943 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1890 5.5882 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2941 4.2446 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3205 2.2526 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 2.1648 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6153 1.2663 -1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1392 -0.1853 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0374 -1.2202 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6866 -0.8740 2.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7846 1.2854 2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2635 -1.5725 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -1.0509 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 1.3934 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 0.5109 -2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.6824 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2486 2.8539 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 0.1152 -2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 0.3667 -3.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 0.6019 -2.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3791 -0.3487 -1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3162 -2.6100 -2.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -3.3833 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5921 -2.9181 -2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 -1.1184 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6209 -3.6435 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 -4.0085 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3394 -3.3011 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0695 -1.5323 -2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4261 -1.2951 -1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9208 0.5730 -2.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0296 -0.1230 -1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7556 -1.3160 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4173 0.4209 -2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8059 0.2350 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6975 1.8448 -1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2399 2.6425 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0648 3.0045 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6542 3.9905 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1402 2.0749 2.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1735 0.5498 2.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7945 1.1598 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3147 2.8199 3.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9068 3.5812 2.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5608 4.1271 2.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3181 1.5204 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9002 1.7871 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5838 2.5705 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3918 1.4085 2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4684 -0.1024 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4031 2.0641 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2961 2.1463 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7992 1.1758 -0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6804 -1.6250 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4352 -0.2624 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8687 0.8495 1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 -2.0354 2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 -0.6069 2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 0.0546 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 -0.1719 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 0.8831 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 0.5052 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 -3.2633 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 -2.3690 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 -2.0257 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 0.7003 -5.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 1.3054 -4.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 2.9642 -4.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 2.4316 -4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 2.6669 -2.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 3.8161 -3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 -1.4161 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9327 -3.2793 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 -3.5635 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 -4.2876 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2588 -3.4513 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1087 -5.1619 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3502 -5.2959 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 -4.8356 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -2.4265 2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7480 -2.8463 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8963 0.5707 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0936 -1.3260 1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7898 -0.8860 2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4192 -0.2969 2.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9940 1.7045 2.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3517 2.5600 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 77 1 0 77 78 1 0 77 74 1 0 74 75 1 0 75 76 1 0 74 73 1 0 73 6 1 0 6 7 1 0 7 8 1 0 8 71 1 0 71 72 1 0 71 68 1 0 68 69 1 0 69 70 1 0 68 67 1 0 67 11 1 0 11 12 1 0 12 13 1 0 13 64 1 0 64 65 1 0 65 66 1 0 64 63 1 0 63 18 1 0 18 19 1 0 19 20 1 0 20 61 1 0 61 62 1 0 61 59 1 0 59 60 1 0 59 58 1 0 58 57 1 0 57 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 1 26 53 1 0 53 52 1 0 52 51 1 0 51 50 1 0 50 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 1 0 32 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 6 45 36 1 0 36 37 1 6 36 35 1 0 35 33 1 0 33 34 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 1 41 43 1 0 41 44 1 0 53 54 1 0 54 55 1 1 54 56 1 0 18 16 1 0 16 17 1 0 16 14 1 0 14 15 1 0 11 9 1 0 9 10 1 0 6 4 1 0 4 5 1 0 4 3 1 0 9 8 1 0 14 13 1 0 21 20 1 0 54 23 1 0 28 26 1 0 48 32 1 0 44 38 1 0 48 50 1 0 32 33 1 1 1 79 1 0 1 80 1 0 1 81 1 0 3 82 1 6 77163 1 1 78164 1 0 74159 1 6 75160 1 0 75161 1 0 76162 1 0 6 85 1 6 8 86 1 6 71157 1 1 72158 1 0 68153 1 6 69154 1 0 69155 1 0 70156 1 0 11 89 1 6 13 90 1 6 64149 1 6 65150 1 0 65151 1 0 66152 1 0 18 95 1 6 20 96 1 6 61147 1 1 62148 1 0 59145 1 6 60146 1 0 58143 1 0 58144 1 0 21 97 1 1 23 98 1 6 24 99 1 0 24100 1 0 25101 1 0 25102 1 0 27103 1 0 27104 1 0 27105 1 0 53136 1 6 52134 1 0 52135 1 0 51132 1 0 51133 1 0 50131 1 1 29106 1 0 30107 1 6 31108 1 0 45123 1 6 46124 1 0 46125 1 0 47126 1 0 47127 1 0 49128 1 0 49129 1 0 49130 1 0 37109 1 0 37110 1 0 37111 1 0 38112 1 6 39113 1 0 39114 1 0 40115 1 0 40116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 55137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 16 93 1 1 17 94 1 0 14 91 1 1 15 92 1 0 9 87 1 1 10 88 1 0 4 83 1 1 5 84 1 0 M END