B9SQP2 -OEChem-04022105312D 52 54 0 1 0 0 0 0 0999 V2000 4.5981 -1.0170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -2.6048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.8490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.1169 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 -5.9830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7315 -5.7617 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1135 -4.5861 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.9830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3193 -4.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0171 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.9830 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.4829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -4.3649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0981 -3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -3.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 -2.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -4.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 -3.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1997 -3.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 -4.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 -4.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 31 1 0 0 0 0 7 31 1 0 0 0 0 8 31 1 0 0 0 0 9 33 1 0 0 0 0 26 12 1 6 0 0 0 12 52 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 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 19 1 6 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 25 2 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 2 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 46 1 0 0 0 0 28 33 2 0 0 0 0 28 47 1 0 0 0 0 30 33 1 0 0 0 0 30 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 M END $$$$