BD2QM6 -OEChem-04042103023D 40 41 0 1 0 0 0 0 0999 V2000 -2.5673 -2.2108 1.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 0.2595 -1.9131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 -4.0051 0.2488 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 1.0159 -0.8717 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0853 1.3008 1.2913 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 -0.4853 0.2479 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 -0.6303 -1.5551 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 2.7221 -0.6393 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -2.2654 0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 -1.8547 -0.1047 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8844 -1.3996 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3914 -0.2236 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3803 0.2481 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -1.6382 -1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 1.8490 -0.0889 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2223 0.4715 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 0.5003 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 -2.8010 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 1.4122 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 2.4158 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 1.6665 1.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 2.1137 0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 1.5387 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -2.2406 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -3.3103 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6847 -1.9593 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -0.2403 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 -2.4238 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 1.8126 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -0.5428 -2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3609 0.1662 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 1.7612 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9712 3.4230 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9521 2.4937 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 2.2289 2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 3.0223 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 2.7648 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 2.3412 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -2.8570 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4203 0.4375 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 39 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 40 1 0 0 0 0 5 23 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 27 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 0 0 0 0 8 15 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 19 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$