REMARK  Name = BDB020815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.726  -1.603  -0.884  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.112  -0.541  -0.805  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.721  -0.497  -0.930  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -2.044  -1.713  -1.382  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1       -0.757  -1.975  -0.601  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        0.104  -0.738  -0.537  0.00  0.00    -0.036 C 
ATOM      7  C   LIG    1       -0.460   0.476  -0.689  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.923   0.725  -0.903  0.00  0.00    +0.137 C 
ATOM      9  N   LIG    1       -4.718   0.681  -0.599  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1       -4.180   1.495  -0.839  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.536  -0.932  -0.296  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        2.055  -1.775   0.727  0.00  0.00    +0.172 A 
ATOM     13  N   LIG    1        3.422  -1.884   0.821  0.00  0.00    -0.253 N 
ATOM     14  C   LIG    1        3.647  -2.757   1.846  0.00  0.00    +0.232 A 
ATOM     15  N   LIG    1        2.503  -3.142   2.365  0.00  0.00    -0.137 NA
ATOM     16  C   LIG    1        4.314  -1.206  -0.022  0.00  0.00    +0.203 A 
ATOM     17  N   LIG    1        3.831  -0.446  -0.968  0.00  0.00    -0.223 NA
ATOM     18  N   LIG    1        1.497  -2.522   1.659  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        2.460  -0.336  -1.084  0.00  0.00    +0.126 A 
BRANCH  16  20
ATOM     20  N   LIG    1        5.672  -1.370   0.171  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        5.972  -1.626   1.106  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        6.627  -0.449  -0.433  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.810   0.805   0.347  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        7.468   0.689   1.537  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        7.512   1.931   2.086  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        6.884   2.841   1.269  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.425   2.114   0.145  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   6  11
BRANCH   9  28
ATOM     28  C   LIG    1       -6.075   0.927  -0.297  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1       -6.505   2.261  -0.326  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1       -7.832   2.591  -0.029  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -8.735   1.587   0.305  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1      -10.366   1.989   0.672  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -8.320   0.259   0.348  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1       -6.992  -0.069   0.050  0.00  0.00    +0.025 A 
ENDBRANCH   9  28
TORSDOF 5