B1PQH6 -OEChem-04022118563D 59 64 0 0 0 0 0 0 0999 V2000 1.1934 -1.7982 -1.7063 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8298 3.1269 -0.3867 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0314 1.4148 1.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6345 -0.9167 1.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 0.5628 -0.3613 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 0.3552 -0.6809 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -1.1031 0.1282 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 -2.9159 -1.3291 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 -3.0681 0.1733 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6371 -4.7119 0.4828 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0477 0.9153 -1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 0.4504 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5807 0.8048 -1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5738 1.5166 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 1.9627 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9779 0.7206 -1.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -0.6708 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2206 0.2473 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 1.7600 1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2409 2.5724 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2821 2.1833 0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 2.7858 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 3.0009 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0143 1.1609 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5725 -1.1129 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 0.6786 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4884 -0.6527 0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5372 2.1624 1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7221 -1.5753 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -2.3631 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4397 2.7452 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9731 0.3976 1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 -2.6455 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -4.3134 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 -3.6767 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 2.0073 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 0.5499 -2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 0.9092 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 -0.6336 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 0.3254 -2.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 1.8902 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 2.4006 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 1.0595 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8351 0.7795 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9502 0.2720 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0244 1.8076 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 1.2847 2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4475 2.7311 -1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7571 2.2134 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 3.4756 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9515 -1.8199 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9968 -2.6233 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7564 1.7702 2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4984 2.9520 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9644 0.6686 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0136 0.3662 2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9108 -1.6863 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -4.8926 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 -3.7261 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 22 1 0 0 0 0 2 31 1 0 0 0 0 3 26 1 0 0 0 0 3 32 1 0 0 0 0 4 27 1 0 0 0 0 4 32 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 44 1 0 0 0 0 7 17 2 0 0 0 0 7 30 1 0 0 0 0 8 30 2 0 0 0 0 9 30 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 34 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 23 2 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 29 2 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 27 29 1 0 0 0 0 28 31 2 0 0 0 0 28 53 1 0 0 0 0 29 52 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 M END $$$$