B7YXS3 -OEChem-04012116272D 42 44 0 0 0 0 0 0 0999 V2000 5.9313 -2.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 -4.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 2.1341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 3.6729 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6166 -2.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 -3.3605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2563 2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 1.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -2.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8743 2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -1.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5653 3.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 2.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 4.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 2.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6974 -0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -0.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 4.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 0.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 0.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 -0.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 -0.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -3.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1136 3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7156 2.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4968 1.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 4.8464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6131 4.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 4.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3184 -0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -0.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -1.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 22 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 5 32 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 6 33 1 0 0 0 0 7 20 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 23 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 4 1 M END $$$$