BS1PE6 -OEChem-04012112372D 97 97 0 1 0 0 0 0 0999 V2000 11.1972 3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 2.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.6550 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 13.7953 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1550 0.0000 C 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 10.0021 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 4.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 3.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 4.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 4.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 3.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 4.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9073 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1473 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 23 2 0 0 0 0 3 30 2 0 0 0 0 4 34 2 0 0 0 0 5 37 2 0 0 0 0 17 6 1 6 0 0 0 6 22 1 0 0 0 0 6 54 1 0 0 0 0 16 7 1 6 0 0 0 7 30 1 0 0 0 0 7 55 1 0 0 0 0 8 23 1 0 0 0 0 29 8 1 6 0 0 0 8 70 1 0 0 0 0 28 9 1 1 0 0 0 9 37 1 0 0 0 0 9 77 1 0 0 0 0 10 34 1 0 0 0 0 10 83 1 0 0 0 0 10 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0 0 36 79 1 0 0 0 0 37 38 1 0 0 0 0 38 43 1 0 0 0 0 38 80 1 0 0 0 0 39 41 1 0 0 0 0 39 81 1 0 0 0 0 40 42 2 0 0 0 0 40 82 1 0 0 0 0 41 44 2 0 0 0 0 41 85 1 0 0 0 0 42 44 1 0 0 0 0 42 86 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 M END $$$$