BRC1U5 -OEChem-04022110282D 53 57 0 0 0 0 0 0 0999 V2000 10.8744 -1.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.8728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8064 2.7835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -0.8728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1851 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5172 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1636 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8279 2.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4743 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -3.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -1.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -1.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -1.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5784 0.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9703 1.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1347 1.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1842 0.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7774 1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8073 3.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 2.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0212 1.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 2.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 3.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -2.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.7528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 -0.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 -3.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -3.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5062 -2.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 6 1 0 0 0 0 3 16 1 0 0 0 0 3 39 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 44 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 26 1 0 0 0 0 19 24 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$