B4M9AQ -OEChem-04022107182D 43 45 0 1 0 0 0 0 0999 V2000 3.3660 -3.1482 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7821 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.4161 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7931 0.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3408 -0.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 2.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 -0.2376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6210 2.2734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -3.8168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7119 2.8694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3919 3.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 3.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0940 2.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6665 2.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 2.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9968 3.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3200 4.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 4.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7841 3.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5247 3.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7902 2.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 1.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4518 0.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6132 -0.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -1.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -3.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 15 2 0 0 0 0 5 18 2 0 0 0 0 6 25 1 0 0 0 0 6 28 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 38 1 0 0 0 0 9 17 3 0 0 0 0 10 21 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 27 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$