B23JES -OEChem-04022101532D 45 48 0 0 0 0 0 0 0999 V2000 3.0000 1.2640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.7640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 5.1300 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 3.3980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 -3.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -2.9312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -4.5407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -3.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -4.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -4.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -3.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 3.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -0.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -2.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -5.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -1.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -4.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 4.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 8 23 2 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 22 2 0 0 0 0 15 21 2 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 31 1 0 0 0 0 20 26 2 0 0 0 0 20 36 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 30 1 0 0 0 0 22 37 1 0 0 0 0 24 27 1 0 0 0 0 24 39 1 0 0 0 0 25 28 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 2 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$