B8WST7 -OEChem-04022105182D 40 41 0 0 0 0 0 0 0999 V2000 11.2774 0.8608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8610 0.0560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 -0.7487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3610 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8610 -1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7784 -1.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4687 -1.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9436 -0.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2533 -0.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3241 -1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1710 -2.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3979 -1.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 17 2 0 0 0 0 4 22 2 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 5 28 1 0 0 0 0 6 11 1 0 0 0 0 6 18 2 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 22 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$