REMARK  Name = BDB020917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.994   0.451  -0.199  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.564  -0.392  -1.337  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.031  -0.514  -1.392  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.538  -1.054  -0.148  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        1.795  -1.621  -0.037  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        2.228  -2.053   1.033  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.281  -0.889   1.061  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -1.149   0.381   1.015  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -6.207   0.367   0.290  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -5.620   1.304  -0.563  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.229   1.329  -0.720  0.00  0.00    +0.063 A 
ATOM     12 CL   LIG    1       -3.574   2.528  -1.788  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -3.389   0.433  -0.019  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -4.003  -0.492   0.840  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -5.393  -0.522   0.999  0.00  0.00    +0.015 A 
BRANCH   9  19
ATOM     16  C   LIG    1       -9.906   0.625  -0.469  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1       -8.472   0.754  -0.536  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1       -8.059   0.892  -1.448  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -7.680   0.297   0.498  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -8.130  -0.180   1.533  0.00  0.00    -0.270 OA
ENDBRANCH   9  19
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1        2.640  -1.674  -1.300  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.037  -2.237  -1.044  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.929  -1.200  -0.402  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        4.751  -0.994   0.938  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        4.009  -1.486   1.434  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        5.447  -0.057   1.658  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        5.234   0.160   2.844  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        6.466   0.689   0.900  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        6.591   0.405  -0.464  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        7.547   1.103  -1.204  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        8.360   2.063  -0.593  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.222   2.335   0.769  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.272   1.648   1.522  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        5.790  -0.549  -1.115  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5