BIPC85 -OEChem-04022106222D 45 47 0 1 0 0 0 0 0999 V2000 7.7331 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4815 -1.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -0.1758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6550 0.0000 N 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 8.5991 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 -0.1825 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 7.7331 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9953 -0.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1350 0.8175 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 13.8632 -0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0030 1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8671 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8450 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 10.8629 -1.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6599 -1.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4859 1.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9929 -1.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5993 1.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3989 -0.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0054 1.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4052 1.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 43 1 0 0 0 0 2 13 2 0 0 0 0 3 21 2 0 0 0 0 4 28 1 0 0 0 0 4 45 1 0 0 0 0 5 28 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 18 1 0 0 0 0 7 19 2 0 0 0 0 20 8 1 1 0 0 0 8 21 1 0 0 0 0 8 35 1 0 0 0 0 9 29 3 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 19 29 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 20 34 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 23 26 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$