B2ANE1 -OEChem-04022118393D 57 61 0 1 0 0 0 0 0999 V2000 5.6909 -3.1549 0.2007 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 5.4630 1.4642 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 3.8165 0.9589 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 5.0881 -0.6096 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 0.7779 1.9796 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 -0.8483 -1.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7405 -3.7214 0.3137 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -4.1427 2.2053 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -5.0007 0.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 0.6147 -1.3993 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 0.9261 -0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 1.0816 1.7774 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 1.7019 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 1.9113 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9075 0.1101 -1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 0.1105 -2.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7179 0.7618 0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 2.5026 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 2.9916 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 -0.7105 -1.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 3.5672 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8564 0.2528 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 3.8141 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8344 0.2836 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -1.8509 -0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1855 -0.2249 -1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 -0.3309 -1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 4.4635 0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1486 -0.1329 0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -2.6119 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4627 -0.6069 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -0.6529 -1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 -1.0917 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4287 -2.2323 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8529 -1.0727 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -3.5268 1.4333 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6003 -4.0276 2.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 -4.2981 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 0.9537 -2.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 -0.5222 -3.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 2.3332 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4058 3.2158 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 4.6546 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 -2.1571 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0302 0.5540 -2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -0.2160 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8781 -0.0905 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7696 -1.0121 -2.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -0.7830 -1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9142 -2.1599 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5759 -0.6124 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1554 -0.8023 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6176 -2.4690 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 -3.4903 2.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -3.9016 3.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 -5.0906 2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 -4.6516 2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 15 2 0 0 0 0 7 30 1 0 0 0 0 7 36 1 0 0 0 0 8 38 1 0 0 0 0 8 57 1 0 0 0 0 9 38 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 41 1 0 0 0 0 19 23 2 0 0 0 0 19 42 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 43 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 32 2 0 0 0 0 26 46 1 0 0 0 0 27 33 2 0 0 0 0 27 45 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 34 2 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 53 1 0 0 0 0 37 54 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 M END $$$$