B3K8CM -OEChem-04012112372D 45 49 0 1 0 0 0 0 0999 V2000 4.3933 -4.5968 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5476 4.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4416 3.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 3.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 4.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 -1.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7996 1.5276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 -0.7730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4416 3.0344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5316 2.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 3.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4677 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5316 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7996 2.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9316 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6495 4.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4497 4.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6326 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -1.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0354 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1779 -2.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3091 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -3.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8771 -3.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 1.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 0.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0686 1.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4019 1.7587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 2.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4315 4.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 3.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 1.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1054 0.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 0.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7453 2.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -2.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -2.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 -4.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 10 3 1 1 0 0 0 3 41 1 0 0 0 0 4 18 2 0 0 0 0 5 21 2 0 0 0 0 6 26 1 0 0 0 0 6 45 1 0 0 0 0 7 26 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 16 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 17 33 1 0 0 0 0 19 25 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 27 29 2 0 0 0 0 27 42 1 0 0 0 0 28 30 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 30 44 1 0 0 0 0 M END $$$$