REMARK  Name = BDB012646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.673  -0.477  -1.647  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.316  -0.593  -0.706  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.237   0.387  -1.027  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.818   1.076  -2.147  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.324   0.532  -2.496  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.481   0.664  -0.313  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        3.500   1.159  -1.068  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        4.696   1.452  -0.490  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        4.878   1.243   0.874  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.821   0.738   1.617  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.334   0.671   2.881  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        3.894   0.362   3.739  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        5.610   1.088   2.925  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        5.956   1.446   1.694  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        2.582   0.426   1.061  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.857  -1.309  -1.763  0.00  0.00    +0.158 C 
BRANCH  16  22
ATOM     17 CL   LIG    1       -5.909   0.135   2.492  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -4.745  -0.323   1.301  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -3.969  -1.481   1.415  0.00  0.00    +0.060 A 
ATOM     20 CL   LIG    1       -4.103  -2.559   2.760  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1       -3.040  -1.801   0.418  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -2.874  -0.969  -0.701  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -3.656   0.190  -0.803  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.585   0.510   0.191  0.00  0.00    +0.022 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 3