B87SHX -OEChem-04012112202D 44 47 0 1 0 0 0 0 0999 V2000 3.3660 2.7238 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.9918 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 -1.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3087 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3381 -0.7161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4814 0.8767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -2.1174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 1.2131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4939 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5679 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4426 -1.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3474 0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9689 0.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3335 -0.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7989 -0.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 -2.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -0.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8376 2.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0374 -0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8844 0.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6574 0.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1466 2.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 2.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 16 2 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 17 2 0 0 0 0 7 20 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 33 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 41 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M END $$$$