D0I2DB -OEChem-10101305022D 45 48 0 0 0 0 0 0 0999 V2000 8.5991 -3.1296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8704 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -3.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 -3.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6296 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1296 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8671 0.8704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -2.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 2.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 3.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 4.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 -2.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 2.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 4.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 -1.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 -0.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 4.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 5.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 3 44 1 0 0 0 0 4 45 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 2 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 14 25 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 2 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 17 27 2 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 28 1 0 0 0 0 24 36 1 0 0 0 0 25 29 1 0 0 0 0 25 37 1 0 0 0 0 26 30 1 0 0 0 0 26 38 1 0 0 0 0 27 31 1 0 0 0 0 27 39 1 0 0 0 0 28 29 2 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 30 31 2 0 0 0 0 30 42 1 0 0 0 0 31 43 1 0 0 0 0 M CHG 2 9 -1 10 1 M END $$$$