BDS1J0 -OEChem-04022102303D 22 23 0 0 0 0 0 0 0999 V2000 -3.4889 0.5447 -0.0031 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6047 -1.4646 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.2175 -0.0006 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5443 2.2883 -0.0028 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 -0.4316 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2374 0.2014 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1906 0.3569 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 1.6042 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 -1.8344 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -0.5871 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 1.7495 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 2.3720 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -2.6022 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 -1.9797 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 -2.4838 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3978 -0.1604 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9843 2.3900 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1882 3.4582 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 -3.6870 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -2.5786 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 3.3004 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 1.8026 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$