REMARK  Name = BDB013052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.191  -0.047   0.099  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.515  -0.864   1.040  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.150  -0.959   0.920  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.753  -1.772   1.943  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.800  -2.163   2.634  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.413  -0.295  -0.070  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.043   0.477  -0.916  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.916  -1.588   2.064  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.416   0.585  -0.809  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10 CL   LIG    1        4.949  -1.158  -2.283  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.513  -0.256  -0.918  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.648   0.180   0.093  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        5.235   0.861   1.155  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        6.557   1.147   1.248  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        7.348   0.713   0.247  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        6.879   0.011  -0.847  0.00  0.00    +0.040 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -0.952  -0.469  -0.118  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.349  -1.302   0.302  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.736   0.042  -1.228  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.193  -0.234  -0.968  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -3.928   0.508  -0.048  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.505   1.618   0.840  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -4.880   2.098   1.305  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -5.830   1.018   1.163  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.257   0.207   0.217  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.912  -0.834  -0.405  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.200  -1.589  -1.337  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.853  -1.294  -1.614  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4