BLP31I -OEChem-04012115223D 38 40 0 1 0 0 0 0 0999 V2000 -4.5084 -0.5724 0.0067 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0302 1.3946 0.0062 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 -0.7193 1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 -2.7670 -1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4525 -3.7081 0.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 0.3108 0.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4693 -1.1712 0.9143 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -0.9376 -1.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8022 3.2828 -0.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 2.0680 -1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 0.4678 -0.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 2.3584 1.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 0.0950 0.2415 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 -0.8380 0.6395 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 2.2133 -0.2321 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6677 1.1371 0.1152 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 -1.0973 0.4881 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5238 -1.8790 -0.7686 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7908 -2.5908 -0.3369 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4783 -1.5366 0.5252 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -0.6355 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9918 0.1975 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 1.3365 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2861 1.5060 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 2.0851 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 -1.7092 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7383 -1.2102 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3889 -2.9602 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -1.9778 1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 -0.0964 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2013 -1.2311 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 1.5478 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 -2.2332 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 -4.1122 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -1.7974 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6231 1.5072 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 2.8167 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9249 0.8899 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 4 18 1 0 0 0 0 4 33 1 0 0 0 0 5 19 1 0 0 0 0 5 34 1 0 0 0 0 6 21 1 0 0 0 0 9 25 2 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 24 2 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$