RDKit 3D 168177 0 0 0 0 0 0 0 0999 V2000 12.7623 1.5696 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 0.2860 -1.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4720 -0.5641 -2.3239 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4989 -1.7167 -2.5240 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9806 -2.6294 -3.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0695 -2.3233 -1.2160 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9340 -1.7018 -0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8944 -2.5305 -0.3763 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6375 -2.1345 -1.1345 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8090 -3.2335 -1.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9001 -1.0757 -0.3808 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0353 -0.3976 -1.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 -0.1781 -0.6278 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6278 -0.8291 -1.3377 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6840 -2.3640 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -0.4249 -0.8654 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 0.9093 -1.0485 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5037 1.5178 -0.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 1.9712 -0.0171 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2593 1.0468 0.7128 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8280 1.7229 1.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0931 1.3473 0.7204 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5368 0.2666 1.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8024 -0.3070 1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 0.7335 1.2964 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2562 1.1291 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1475 0.1524 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2046 -1.0316 0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4366 -1.6423 -0.4701 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1478 -1.8680 -1.7801 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6427 -0.8738 -0.1214 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2030 -1.2731 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0041 -0.8459 2.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0882 -2.3236 0.9521 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5485 -2.2836 -0.3946 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9907 -3.5388 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0197 -2.3750 -0.5035 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.5370 -2.2659 -1.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0281 -2.0104 -1.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0750 -1.8842 -0.1654 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.3942 -3.1684 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0699 -0.8519 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7789 -1.4088 0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8989 -1.0376 -0.9006 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8430 -0.9166 -2.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6849 0.1350 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6767 1.2277 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3402 0.5702 -0.2562 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8480 0.9436 -1.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3067 1.0842 0.7199 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9509 2.5038 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5542 2.8660 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4893 1.8421 0.3568 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1220 2.4064 0.6466 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7854 3.2870 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1172 3.2559 1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 0.7988 1.9364 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 1.9101 2.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 3.2415 2.0919 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6851 4.0958 2.7392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 5.1883 3.7372 S 0 0 1 0 0 6 0 0 0 0 0 0 1.9869 5.8777 4.6178 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 6.3062 2.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 4.5741 4.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 3.3048 0.6339 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2316 4.1723 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 1.6236 -1.5110 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7563 1.4124 -2.8222 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 1.3138 -0.6359 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3252 1.7951 0.6529 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8937 -0.1966 0.2063 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2604 -0.8304 1.3872 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3468 -0.0938 2.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6257 -0.8129 3.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7057 -2.2212 1.1142 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7612 -3.1197 1.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1123 -2.1499 -0.2528 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3652 -2.3381 -0.8273 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3541 -2.4015 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2632 -1.1811 1.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7425 -1.1564 -1.7141 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5093 -1.6427 -2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0680 1.6340 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7198 2.1096 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2729 2.1546 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6656 -0.1254 -3.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5838 -1.2510 -2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2462 -3.0616 -3.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0174 -3.4164 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1273 -3.5843 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8888 -1.7690 -2.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2229 -3.8393 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4359 -1.4961 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -0.5535 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 -0.7312 -2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -2.5261 -0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 -2.9087 -1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 -2.6963 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 0.9021 -1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 1.9544 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 0.1457 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 0.6952 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 0.7211 2.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 -0.4841 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 -0.4180 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 -1.2481 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 1.2610 3.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 0.2894 3.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9538 1.9849 2.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3268 -1.6655 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 -2.6203 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1996 -2.8263 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2876 -4.0992 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5586 -3.2974 -2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8310 -4.2284 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3517 -3.4065 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1562 -1.3826 -2.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5041 -3.1973 -2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6632 -2.8450 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3460 -1.0472 -2.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4118 -3.1204 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4667 -4.0002 -0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6948 -3.3932 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9483 0.0794 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8453 -0.6857 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1094 -1.2626 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1997 -0.0351 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9636 -0.1504 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4983 0.4887 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6906 1.6965 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8104 2.0531 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4079 1.8305 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8486 0.1829 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7812 1.3173 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7436 0.9648 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5846 2.8250 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3724 3.1506 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2681 3.7759 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 3.2210 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3684 1.3125 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 2.8635 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3887 4.2556 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 3.5642 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 4.2325 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 3.4530 2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 2.8189 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6877 1.8721 3.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0742 1.7068 3.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 3.6696 2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 4.8936 5.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1069 3.8130 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 3.8928 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 2.7419 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8381 2.2068 -3.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4516 1.8671 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 1.1192 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3178 -0.8596 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0365 0.9199 2.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2957 -0.0651 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9411 -0.6340 4.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6393 -2.4427 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3714 -3.6775 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4567 -3.2924 -1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3744 -2.6157 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9566 -3.1722 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4550 -1.3706 1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2410 -0.4355 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1659 -0.9381 -3.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 81 1 0 81 82 1 0 81 78 1 0 78 79 1 0 79 80 1 0 78 77 1 0 77 6 1 0 6 7 1 0 7 8 1 0 8 75 1 0 75 76 1 0 75 72 1 0 72 73 1 0 73 74 1 0 72 71 1 0 71 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 65 1 0 65 66 1 0 65 59 1 0 59 58 1 0 58 57 1 0 57 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 53 1 0 53 52 1 0 52 51 1 0 51 50 1 0 50 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 1 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 6 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 1 40 42 1 0 40 43 1 0 35 44 1 0 44 45 1 6 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 6 53 54 1 0 54 55 1 6 54 56 1 0 59 60 1 0 61 60 1 6 61 64 1 0 61 62 2 0 61 63 2 0 17 67 1 0 67 68 1 0 67 69 1 0 69 70 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 69 13 1 0 20 19 1 0 54 22 1 0 27 25 1 0 44 31 1 0 48 50 1 0 48 31 1 0 43 37 1 0 1 83 1 0 1 84 1 0 1 85 1 0 3 86 1 6 81167 1 1 82168 1 0 78163 1 6 79164 1 0 79165 1 0 80166 1 0 6 89 1 6 8 90 1 1 75161 1 1 76162 1 0 72157 1 1 73158 1 0 73159 1 0 74160 1 0 11 93 1 1 13 94 1 1 14 95 1 6 15 96 1 0 15 97 1 0 15 98 1 0 17 99 1 6 19100 1 6 65151 1 1 66152 1 0 59149 1 6 58147 1 0 58148 1 0 20101 1 6 22102 1 6 23103 1 0 23104 1 0 24105 1 0 24106 1 0 26107 1 0 26108 1 0 26109 1 0 53140 1 6 52138 1 0 52139 1 0 51136 1 0 51137 1 0 50135 1 1 28110 1 0 29111 1 1 30112 1 0 36113 1 0 36114 1 0 36115 1 0 37116 1 1 38117 1 0 38118 1 0 39119 1 0 39120 1 0 41121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 42126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 49132 1 0 49133 1 0 49134 1 0 55141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 56146 1 0 64150 1 0 67153 1 6 68154 1 0 69155 1 6 70156 1 0 9 91 1 6 10 92 1 0 4 87 1 6 5 88 1 0 M END