D05CFG -OEChem-10101305022D 53 53 0 1 0 0 0 0 0999 V2000 7.7331 2.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1972 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3312 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4651 -3.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5772 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 4 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 33 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 5 30 2 0 0 0 0 6 32 1 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 11 19 1 0 0 0 0 12 19 2 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 44 1 0 0 0 0 18 24 1 0 0 0 0 19 29 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 27 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 23 30 1 0 0 0 0 24 28 2 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 29 2 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 M CHG 4 7 -1 11 -1 18 1 19 1 M END $$$$