BAT3I6 -OEChem-04022109192D 50 52 0 1 0 0 0 0 0999 V2000 2.3660 -4.0311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.7631 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -2.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -1.1651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 4.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 3.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0981 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 5.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -1.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 -1.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -2.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -1.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 4.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 5.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 6.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 6.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 22 1 0 0 0 0 5 24 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 26 2 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 20 2 0 0 0 0 10 20 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 11 43 1 0 0 0 0 12 27 2 0 0 0 0 12 30 1 0 0 0 0 13 28 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 6 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 6 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 M END $$$$