REMARK  Name = BDB032615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.818  -3.482   0.717  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        0.807  -4.394   0.269  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.749  -2.565   0.267  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        2.566  -2.900  -0.732  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        3.357  -1.789  -0.960  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        3.018  -0.794  -0.089  0.00  0.00    +0.172 A 
ATOM      7  C   LIG    1        2.002  -1.255   0.717  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.762   0.455  -0.204  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        3.360   1.604   0.490  0.00  0.00    +0.134 A 
ATOM     10  F   LIG    1        2.269   1.585   1.272  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        4.065   2.804   0.390  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.198   2.877  -0.416  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        5.618   1.750  -1.119  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.906   0.549  -1.014  0.00  0.00    +0.014 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  O   LIG    1        0.014  -2.445   2.885  0.00  0.00    -0.150 OA
ATOM     16  S   LIG    1       -0.468  -3.151   1.717  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -1.228  -4.377   1.839  0.00  0.00    -0.150 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.444  -2.028   0.743  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1       -1.569  -0.692   1.132  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -2.335   0.179   0.353  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -2.465   1.641   0.691  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -3.903   2.126   0.500  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.597   1.610  -0.770  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.740   0.695  -1.646  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -2.970  -0.293  -0.810  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -2.840  -1.634  -1.187  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -2.085  -2.507  -0.405  0.00  0.00    +0.029 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4