ZINC00589029 -OEChem-08230709463D 59 62 0 0 0 0 0 0 0999 V2000 4.8871 11.4642 4.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 12.0885 3.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 13.5415 3.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 11.3021 2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7994 12.0469 2.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 13.2233 1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 13.1914 0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0633 11.9789 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5116 10.7931 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 10.8330 1.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 9.5632 0.7283 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3327 8.4683 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1211 8.5671 0.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9065 7.2640 0.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1106 6.1138 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8593 6.1762 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 5.0424 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5381 3.8407 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 3.7790 0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 4.9110 0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 2.7246 0.0509 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 1.6012 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2834 1.5652 2.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7285 0.4266 2.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0983 -0.6873 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 -0.6539 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 0.4893 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4794 -1.9808 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5554 -2.3420 -1.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 -2.7226 1.1718 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6034 -2.0304 2.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8073 -2.4441 3.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1761 11.9462 -0.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6863 13.2010 -0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 12.0245 4.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9979 11.4944 5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 10.4291 4.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 13.9862 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 13.5716 3.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 14.1018 3.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7544 10.2669 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 11.3322 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 11.7468 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8872 14.1697 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8953 14.1120 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 9.9156 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0640 9.5000 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8706 7.1935 0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 7.1116 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 5.0907 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1436 2.8445 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5462 4.8619 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 2.4318 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 0.4044 3.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5093 0.5197 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1191 -3.6359 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5728 13.0326 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9262 13.7083 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9489 13.8194 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 27 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 31 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M END > ZINC00589029 $$$$ ZINC01033573 -OEChem-08230709463D 59 61 0 0 0 0 0 0 0999 V2000 7.8386 -2.3889 -2.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2334 -3.7647 -3.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8665 -3.9328 -4.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2131 -5.2151 -4.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9310 -6.2341 -3.8627 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3247 -6.0392 -2.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 -4.8271 -2.2956 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0446 -7.1282 -1.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6374 -6.8987 -0.3053 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6093 -6.0169 0.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3864 -8.1867 0.2398 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1025 -6.0337 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9131 -6.7390 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 -6.0640 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 -4.6754 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 -3.9700 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0898 -4.6510 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4733 -3.9885 -0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 -2.8302 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -2.3388 0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -2.2165 0.5569 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -0.9669 1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 -0.0247 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.2079 1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 1.5042 2.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 0.5682 2.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8819 -0.6662 2.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 2.8502 3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 3.0458 3.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 2.9207 4.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 3.9505 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9034 -5.4455 -5.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -2.1619 -2.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8655 -2.3564 -1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5348 -1.6532 -2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 -3.0830 -4.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0867 -8.0260 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9263 -7.8189 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7798 -6.6154 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 -2.8900 -0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0205 -4.1030 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 -4.3459 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 -2.6411 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -0.2557 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 1.9427 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.8028 3.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 -1.3970 2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 2.2620 4.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 4.0193 4.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3523 2.9956 2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.7813 3.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 3.8942 4.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5452 2.1368 4.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 3.9002 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 4.9240 2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 3.8111 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1565 -5.6064 -6.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5073 -4.5736 -6.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5455 -6.3231 -5.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 7 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 27 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END > ZINC01033573 $$$$ ZINC03393496 -OEChem-08230709463D 65 67 0 0 0 0 0 0 0999 V2000 -0.7538 7.9907 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 7.2632 2.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3673 7.5041 2.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 6.8388 1.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 5.9267 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 5.6911 1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 6.3559 2.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 5.2525 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 3.6252 -0.2802 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 3.4128 -0.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 3.2264 -1.3016 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 2.8276 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 2.5183 1.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2094 1.8983 2.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 1.5732 3.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 1.8835 3.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 2.5083 2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7245 0.9045 4.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 0.6233 5.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 0.6066 4.9417 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 -0.0502 6.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8751 -0.3026 6.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 0.0981 5.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4313 -0.9737 7.2319 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -1.1149 7.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4745 0.1050 7.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7419 1.2361 7.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2760 2.3567 7.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5521 2.3428 9.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2899 1.2097 9.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7509 0.0909 9.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5799 -1.5620 8.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 -2.7482 7.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4506 -2.0420 9.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 -0.5102 8.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 8.9196 3.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5744 7.3631 4.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 8.2155 4.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8699 8.2135 3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 7.0271 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 4.9859 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 6.1701 2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 5.7367 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 2.7667 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2541 1.6615 2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 1.6351 4.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 2.7492 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 0.5881 7.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8587 -0.9990 6.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -2.0005 7.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2984 -1.2167 6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5301 1.2456 6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4812 3.2419 7.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9728 3.2170 9.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5059 1.1987 10.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5461 -0.7944 9.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -3.5507 7.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0836 -3.1049 8.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 -2.4340 6.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9082 -1.1826 9.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -2.5829 10.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2307 -2.7023 9.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.4393 8.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 -0.7985 9.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0891 0.4565 8.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 7 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 31 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > ZINC03393496 $$$$ ZINC03393564 -OEChem-08230709463D 62 64 0 0 0 0 0 0 0999 V2000 -1.2760 5.2866 2.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 4.4463 1.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 4.8103 1.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 4.0422 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 2.9029 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 2.5431 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9201 3.3128 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 2.1242 -0.7604 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 0.4753 -0.6068 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 0.0660 -0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -0.0192 -1.5359 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 0.1017 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9935 0.0175 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4861 -0.2699 2.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -0.4863 3.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 -0.4050 3.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 -0.1117 2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1232 -0.7995 4.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 -0.9870 5.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4519 -0.8773 5.0785 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8912 -1.1889 6.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3971 -1.2334 6.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 -1.0231 5.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0326 -1.5068 7.6236 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4965 -1.5501 7.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9703 -2.9150 7.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 -3.8722 8.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7006 -5.1259 7.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8399 -5.4191 6.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5450 -4.4600 5.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1100 -3.2081 5.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2597 -1.7608 8.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4825 -3.2050 9.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7166 -0.8037 9.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 6.0510 2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 4.6523 3.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 5.7642 3.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 5.6963 1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7428 4.3268 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.6604 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 3.0313 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5727 2.5494 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 0.1811 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 -0.3309 2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 -0.5710 4.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 -0.0481 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.4215 7.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 -2.1582 6.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9003 -0.7966 6.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 -1.3484 8.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1657 -3.6418 9.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9313 -5.8750 8.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1794 -6.3973 6.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -4.6890 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8797 -2.4588 5.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2003 -1.6029 8.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 -3.3354 9.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 -3.4250 10.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2533 -3.8834 8.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4972 0.2223 9.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 -1.0362 10.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7895 -0.9152 10.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 7 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 31 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > ZINC03393564 $$$$ ZINC03439275 -OEChem-08230709463D 61 64 0 1 0 0 0 0 0999 V2000 -1.6147 -2.9063 5.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 -1.8094 4.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -0.4750 4.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 0.6219 3.5854 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6280 0.6440 3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1661 1.9761 4.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 0.3458 2.3909 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 0.8324 1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 1.4988 1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3286 0.5483 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 1.3317 -1.4729 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0397 0.8517 -2.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 0.1271 -2.5624 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 -0.0374 -3.6882 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 0.5792 -4.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 1.1670 -4.0543 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 1.9114 -4.6704 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 0.6317 -6.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 1.8294 -6.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 1.8333 -8.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 0.7344 -8.7694 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 -0.4587 -8.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 -0.5754 -6.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8578 -1.8263 -6.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 -2.9251 -6.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -2.8166 -8.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -1.6138 -8.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 3.1179 -8.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 4.2946 -8.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3641 5.4878 -8.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 5.5158 -10.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 4.3502 -10.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 3.1520 -10.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 6.8210 -11.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1413 -2.6552 6.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9857 -3.8569 4.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 -2.9881 5.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9215 -1.7275 3.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 -2.0605 3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -0.5569 4.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8596 -0.2239 5.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 2.7575 3.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 2.1816 5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 1.9540 4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.1873 2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 -0.5285 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 0.9480 0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 2.8760 -4.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 1.5252 -5.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 2.7482 -6.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -1.9216 -5.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -3.8911 -6.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 -3.7008 -8.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -1.5469 -9.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1006 4.2732 -7.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 6.4009 -8.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3408 4.3779 -11.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 2.2425 -10.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 6.9735 -11.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 7.6389 -10.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4392 6.7948 -11.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 23 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 22 27 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 33 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > ZINC03439275 $$$$ ZINC04147300 -OEChem-08230709463D 75 79 0 1 0 0 0 0 0999 V2000 -6.6579 1.4304 2.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8105 0.9917 0.8537 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2112 0.4133 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2772 1.4656 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0545 2.6169 -0.1349 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0906 2.2364 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6834 3.2341 0.1334 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5804 2.1906 -0.0693 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5645 1.8626 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2368 2.8521 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 1.7955 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3902 0.4568 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2883 -0.2809 0.6848 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 0.2528 0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4353 1.9466 0.5190 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 -0.3745 0.8099 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 0.3887 0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 -0.0617 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.6931 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 1.8974 1.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 2.3522 1.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2838 1.5979 1.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4169 3.5363 2.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7982 -0.1184 0.5422 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0075 -0.5345 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9119 -1.2217 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 -2.4167 1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4953 -2.3886 0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0547 -3.5166 1.9389 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7887 -3.5505 3.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2683 -4.6782 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8623 -4.5516 2.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 -3.9185 1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -3.7981 1.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -4.3197 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -4.9579 3.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -5.0737 3.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4601 4.4008 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6336 3.7504 1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5517 4.8352 1.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0694 3.6063 0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 2.3629 2.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 1.5813 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1259 0.6596 2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2915 0.0543 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3725 -0.4197 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2038 1.8394 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2637 1.0313 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9437 3.5422 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3406 3.3953 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.3431 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5239 -1.0045 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 0.3414 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 2.4853 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 1.9505 2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 3.4599 3.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5331 -0.8538 2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9568 -1.5114 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7927 -3.9386 3.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2655 -4.1959 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8539 -2.5424 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 -5.5874 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2453 -4.7249 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -3.5145 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -3.2998 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 -4.2290 3.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9965 -5.3658 4.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -5.5723 3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4888 4.0346 -1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2438 5.1449 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4886 4.8541 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9065 2.9468 2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6247 4.0944 1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5732 5.2128 2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9671 3.2820 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 8 1 0 0 0 0 2 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 17 22 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 37 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 36 2 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 M END > ZINC04147300 $$$$