LD0QB2 -OEChem-05022322423D 41 43 0 0 0 0 0 0 0999 V2000 1.8057 2.4272 -0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7806 -2.2098 -1.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.8761 0.3517 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -3.7302 0.1447 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -3.5363 0.3957 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 0.6674 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7983 1.4498 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 1.3036 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -0.7326 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 -1.4943 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3766 0.5213 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 2.8396 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 2.7035 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 0.5384 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 -0.8686 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 3.4653 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 -0.4454 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6772 1.3877 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5187 0.7527 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 -1.2344 -0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.6713 -1.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0103 -2.9432 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 -0.0363 1.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -1.0298 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 -1.2467 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 -0.0648 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3484 0.9901 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 3.4843 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 3.2140 -0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2443 -1.4117 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1521 4.5481 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 1.5244 2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1979 -0.5588 -2.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 -1.6763 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 0.0282 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 0.1229 2.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9085 -1.6409 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0901 -4.7398 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0904 -3.3589 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 -2.2844 -2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 -4.5488 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 20 1 0 0 0 0 2 40 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 22 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$