BW4QK3 -OEChem-04022107092D 50 52 0 0 0 0 0 0 0999 V2000 12.1972 4.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 4.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -2.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -2.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -4.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 17 2 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 26 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 18 2 0 0 0 0 11 23 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 27 2 0 0 0 0 22 29 1 0 0 0 0 23 28 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$