REMARK  Name = BDB031557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.274   3.748   1.685  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.606   2.707   0.805  0.00  0.00    +0.096 C 
ATOM      3  N   LIG    1       -1.133   3.279  -0.476  0.00  0.00    -0.288 NA
ATOM      4  C   LIG    1        0.072   2.432  -0.412  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1       -0.114   2.376   1.132  0.00  0.00    +0.204 C 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.995   3.046  -1.638  0.00  0.00    +0.121 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.513   1.657  -1.924  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -3.726   1.204  -1.384  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -4.156  -0.085  -1.672  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -3.372  -0.886  -2.503  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -3.808  -2.245  -2.801  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.950  -2.714  -2.278  0.00  0.00    +0.107 A 
ATOM     13  C   LIG    1       -5.804  -1.863  -1.385  0.00  0.00    +0.268 A 
ATOM     14  O   LIG    1       -6.856  -2.255  -0.888  0.00  0.00    -0.266 OA
ATOM     15 CL   LIG    1       -5.480  -4.321  -2.607  0.00  0.00    -0.078 Cl
ATOM     16  N   LIG    1       -2.210  -0.478  -3.055  0.00  0.00    -0.253 NA
ATOM     17  N   LIG    1       -5.350  -0.586  -1.140  0.00  0.00    -0.320 N 
ATOM     18  H   LIG    1       -5.930  -0.022  -0.533  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -1.814   0.782  -2.758  0.00  0.00    +0.116 A 
ENDBRANCH   6   7
ENDBRANCH   3   6
BRANCH   5  20
ATOM     20  O   LIG    1        0.101   1.097   1.782  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.393   0.651   1.772  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        1.682  -0.554   1.153  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        2.924  -1.087   1.085  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        3.925  -0.402   1.692  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        3.710   0.807   2.355  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        2.422   1.340   2.397  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.324  -0.951   1.649  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        5.622  -2.161   1.053  0.00  0.00    -0.307 N 
ATOM     29  H   LIG    1        6.607  -2.394   1.103  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1        6.247  -0.308   2.156  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1        4.743  -3.087   0.424  0.00  0.00    +0.073 C 
ATOM     32  C   LIG    1        4.017  -4.132   1.227  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1        5.130  -4.539   0.309  0.00  0.00    +0.024 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 6