B5PWB6 -OEChem-04022101432D 46 47 0 0 0 0 0 0 0999 V2000 7.1962 3.6830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 4.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 4.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 26 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 19 2 0 0 0 0 4 11 1 0 0 0 0 4 46 1 0 0 0 0 9 20 1 0 0 0 0 9 37 1 0 0 0 0 10 21 1 0 0 0 0 10 38 1 0 0 0 0 11 19 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 22 1 0 0 0 0 15 29 1 0 0 0 0 16 23 1 0 0 0 0 16 30 1 0 0 0 0 17 24 2 0 0 0 0 17 31 1 0 0 0 0 18 25 2 0 0 0 0 18 32 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$