B2I1QU -OEChem-04022103093D 31 33 0 0 0 0 0 0 0999 V2000 -5.6210 0.5260 0.6283 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 -2.1536 -0.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 2.5572 -0.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 -0.9145 -0.0383 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2182 1.4444 0.0914 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 -0.1686 1.9778 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 0.0539 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 0.0167 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 0.1880 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1316 0.1694 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.9265 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.1178 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8809 1.5035 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -0.0689 1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 0.0844 -1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 0.3051 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -0.1874 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0365 -2.2054 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 0.0144 -1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3113 -0.1203 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3156 0.2864 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -0.0717 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9502 0.1882 -2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6757 2.3313 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 -0.2912 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 -2.8626 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1645 -2.6556 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -2.1166 0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4144 0.0644 -2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3910 -0.1726 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 -2.0433 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 11 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 21 1 0 0 0 0 12 17 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END $$$$