B3EA5S -OEChem-04012120152D 42 42 0 0 0 0 0 0 0999 V2000 6.8671 -1.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 4 20 1 0 0 0 0 4 40 1 0 0 0 0 5 20 2 0 0 0 0 6 23 2 0 0 0 0 7 23 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 24 3 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$