BPY52E -OEChem-04022103323D 23 24 0 0 0 0 0 0 0999 V2000 -6.1429 0.0168 0.0033 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 1.0268 0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 2.6927 -0.0009 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7218 1.4558 0.0004 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0892 -0.3585 0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 -0.1521 -0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5348 -0.5093 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1287 1.7505 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 0.3785 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8139 -0.7723 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -0.9649 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 0.3512 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2903 -2.0781 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8807 -2.1263 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 -1.1514 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 0.4405 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.2411 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -2.9706 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 -3.1113 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 -2.1946 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -1.4995 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 2.0056 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8036 2.5079 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 M CHG 2 3 -1 4 1 M END $$$$