BDBE53 -OEChem-04022110413D 40 42 0 0 0 0 0 0 0999 V2000 -2.4772 -2.0635 0.2328 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -3.4013 -0.3451 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 -1.8946 1.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2217 -0.8082 -1.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 0.2417 0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 -1.0320 -0.8686 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2168 0.8052 -0.0486 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 1.1304 1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 0.0672 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 1.2152 1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 -0.4197 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4914 -0.4221 1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 -1.4211 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 -1.4139 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.9133 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1325 0.0117 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2095 0.3891 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5002 0.7145 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6552 0.9601 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 1.1963 -1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 2.3384 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 2.5745 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 3.1457 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 2.0826 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 0.8411 3.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0622 2.2185 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 0.9672 2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 -0.0295 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0765 -1.8179 -1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 -2.6865 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 -1.3301 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1298 1.4597 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 -0.2698 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 1.4973 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 0.8417 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1074 0.3598 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 0.7620 -2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 2.7841 1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 3.2030 -2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9437 4.2189 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 4 16 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$