REMARK  Name = BDB015914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.215   2.298  -0.444  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.394   1.244  -0.267  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.938   1.454  -0.307  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.471   2.720  -0.559  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.541   3.730  -0.728  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.793   3.554  -0.668  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.575   0.506  -0.164  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.193   0.754  -0.226  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.671   2.055  -0.384  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.596   3.111  -0.477  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.973   2.883  -0.413  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.459   1.586  -0.255  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.113  -4.422  -0.441  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.308  -3.025  -0.142  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.395  -2.643   0.550  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.262  -1.316   0.631  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.088  -0.843  -0.001  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.494  -1.987  -0.494  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.892   2.993  -0.665  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.529   4.099  -0.140  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.851   3.962  -0.455  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.925   4.864  -0.115  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.122   2.845  -1.151  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.929   2.258  -1.282  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.800   0.350  -0.113  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.498   0.618   0.579  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.133  -0.907   0.220  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.167  -2.040   0.333  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -3.042  -1.884   1.583  0.00  0.00    +0.101 C 
ATOM     30  C   LIG    1       -3.911  -3.087   1.881  0.00  0.00    +0.213 C 
ATOM     31  O   LIG    1       -4.953  -2.998   2.524  0.00  0.00    -0.276 OA
ATOM     32  N   LIG    1       -3.437  -4.313   1.508  0.00  0.00    -0.315 N 
ATOM     33  H   LIG    1       -4.089  -5.062   1.714  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -2.496  -4.506   0.432  0.00  0.00    +0.104 C 
ATOM     35  C   LIG    1       -1.458  -3.399   0.376  0.00  0.00    +0.024 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6