B57AIU -OEChem-04022118113D 38 43 0 0 0 0 0 0 0999 V2000 3.8543 -4.0750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8495 -4.0789 0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 3.3413 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3219 3.3381 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 -2.0754 -0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3896 -2.0767 -0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 3.7271 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0109 5.1001 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 0.3704 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 0.3693 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 -0.9136 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 -0.9141 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 1.6036 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 1.6032 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 -0.1679 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 -0.1704 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.6035 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -1.6060 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 2.9844 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 2.9837 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9765 0.4653 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 0.4614 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8821 -2.3537 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 -2.3576 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 -0.2923 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1517 -0.2973 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1041 -1.6801 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1017 -1.6851 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -3.0278 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -3.0287 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 1.5477 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0562 1.5437 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 0.2137 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1141 0.2077 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0383 -2.2374 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0354 -2.2433 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 5.4047 -0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 5.4027 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 21 25 2 0 0 0 0 21 31 1 0 0 0 0 22 26 2 0 0 0 0 22 32 1 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 M END $$$$