D0E4SM -OEChem-10101305032D 45 47 0 0 0 0 0 0 0999 V2000 6.8671 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.5600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.9292 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 20 2 0 0 0 0 3 30 1 0 0 0 0 3 44 1 0 0 0 0 4 31 1 0 0 0 0 4 45 1 0 0 0 0 5 30 2 0 0 0 0 6 31 2 0 0 0 0 7 10 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 32 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 19 2 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 25 2 0 0 0 0 15 26 1 0 0 0 0 16 33 1 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 M CHG 2 7 -1 10 1 M END $$$$