REMARK  Name = BDB020919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.168  -0.870   0.505  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.114   0.157   0.364  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.132  -0.344  -0.394  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.622  -1.652   0.073  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.940  -2.085   0.008  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        3.260  -3.225   0.342  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.606  -2.590   0.559  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -0.811  -2.238   0.076  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -5.173   0.255  -0.269  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -4.271   0.211  -1.332  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -2.934  -0.147  -1.119  0.00  0.00    +0.063 A 
ATOM     12 CL   LIG    1       -1.903  -0.156  -2.515  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -2.470  -0.472   0.171  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -3.388  -0.399   1.228  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -4.723  -0.034   1.020  0.00  0.00    +0.015 A 
BRANCH   9  17
ATOM     16  O   LIG    1       -6.857   1.286  -1.552  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -6.587   0.626  -0.555  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -7.540   0.151   0.326  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -7.258  -0.555   0.985  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -8.977   0.395   0.108  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -9.431   1.865   0.292  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1      -10.695   1.311   0.981  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -9.867   0.058   1.331  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1        3.966  -1.093  -0.516  0.00  0.00    +0.103 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.388  -1.659  -0.527  0.00  0.00    +0.083 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.397  -0.565  -0.225  0.00  0.00    +0.112 A 
ATOM     27  N   LIG    1        7.215  -0.158  -1.248  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        7.264  -0.693  -2.106  0.00  0.00    +0.167 HD
ATOM     29  C   LIG    1        8.250   0.737  -0.969  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        8.337   1.304   0.307  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1        9.347   2.219   0.625  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1       10.273   2.583  -0.352  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       10.181   2.040  -1.639  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        7.322   0.896   1.306  0.00  0.00    +0.281 A 
ATOM     35  O   LIG    1        7.322   1.460   2.395  0.00  0.00    -0.265 OA
ATOM     36  C   LIG    1        9.169   1.125  -1.948  0.00  0.00    +0.026 A 
ATOM     37  N   LIG    1        6.414  -0.091   0.982  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6