B1NQY5 -OEChem-04022102013D 66 71 0 1 0 0 0 0 0999 V2000 5.0129 -1.2994 2.2506 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -1.2803 0.7617 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.0450 -1.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -0.9410 -0.5318 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4156 0.5289 -1.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 3.2503 -2.5356 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8507 0.3312 2.1316 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -1.8344 -0.1646 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 -0.1727 0.8044 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3099 1.7528 -0.9735 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 1.9924 2.6627 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6559 0.0693 1.4994 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 -2.1118 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 -1.9555 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7171 -3.5150 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7931 -1.4903 -1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1861 -3.4280 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 -1.4275 -1.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 -1.1561 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8408 -2.1589 -0.3216 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4983 -0.7750 -0.4707 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0815 -0.4707 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 0.2175 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 -0.1883 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 1.4398 0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4536 -0.1247 1.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 0.0303 -1.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 2.3053 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1414 0.7933 2.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 0.2832 -1.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6979 0.0877 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1146 0.3236 -0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 3.5276 1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 2.9518 -1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4319 3.8697 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2416 0.9567 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9713 0.3999 1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 2.2635 -3.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 -3.9381 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -4.2089 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 -2.0609 -2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1467 -0.4664 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2306 -4.0340 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 -3.8633 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 -0.3945 -1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1485 -2.0263 -2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 -1.5053 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2793 -0.0786 0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 -2.6134 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 -2.4649 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2595 -0.3784 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 0.2926 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 -0.2929 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 -3.9557 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1839 -1.5468 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 0.0024 -2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3415 0.5859 3.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 0.4475 -2.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 4.2354 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 4.8249 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 -0.2141 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2708 0.6913 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1911 2.0507 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 2.6646 -4.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 1.3534 -3.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 2.0430 -3.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 54 1 0 0 0 0 4 21 1 0 0 0 0 4 55 1 0 0 0 0 5 32 1 0 0 0 0 5 36 1 0 0 0 0 6 34 1 0 0 0 0 6 38 1 0 0 0 0 7 37 2 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 50 1 0 0 0 0 9 24 2 0 0 0 0 9 31 1 0 0 0 0 10 25 1 0 0 0 0 10 34 2 0 0 0 0 11 28 2 0 0 0 0 11 29 1 0 0 0 0 12 31 1 0 0 0 0 12 37 1 0 0 0 0 12 61 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 28 33 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 M END $$$$