D0MR1K -OEChem-10101305022D 39 33 0 1 0 0 0 0 0999 V2000 8.0622 3.7500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 5.6962 3.1160 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.9820 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 9.5622 -1.3840 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6962 3.1160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.1160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0622 -2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6962 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 23 2 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 24 2 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 37 1 0 0 0 0 14 29 1 0 0 0 0 14 38 1 0 0 0 0 15 30 1 0 0 0 0 15 39 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 0 0 0 0 26 29 1 0 0 0 0 26 32 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 5 1 6 1 16 -1 17 -1 M CHG 4 18 -1 19 -1 20 -1 21 -1 M END $$$$