REMARK  Name = BDB012643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.932  -1.280  -0.130  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.073  -0.844   0.688  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.161  -0.659  -0.140  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.833  -0.995  -1.440  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.427  -1.367  -1.396  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.476  -0.186   0.277  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        2.636   0.090   1.604  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        3.841   0.536   2.055  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        4.900   0.706   1.165  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.698   0.414  -0.176  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        5.910   0.688  -0.741  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        6.200   0.610  -1.709  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        6.800   1.116   0.171  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        6.188   1.132   1.349  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        3.484  -0.043  -0.677  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -2.275  -1.647   0.284  0.00  0.00    +0.159 C 
BRANCH  16  19
ATOM     17 CL   LIG    1       -4.138  -1.603  -2.258  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -4.101  -0.406  -1.013  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.244  -0.506   0.095  0.00  0.00    -0.009 A 
ATOM     20  C   LIG    1       -3.281   0.520   1.059  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.149   1.605   0.924  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.994   1.686  -0.178  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.970   0.683  -1.145  0.00  0.00    +0.020 A 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 3