BA20XY -OEChem-04022109392D 41 43 0 0 0 0 0 0 0999 V2000 7.3007 5.5763 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.7842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.0522 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 4.1751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 5.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 4.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.6895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 6.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 4.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 27 1 0 0 0 0 5 22 1 0 0 0 0 5 27 1 0 0 0 0 6 19 2 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 35 1 0 0 0 0 9 18 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$