REMARK  Name = BDB012644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.653   1.360   0.173  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.174   0.618   0.968  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.288   0.363   0.194  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.149   0.950  -1.049  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.025   1.540  -1.027  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.453  -0.408   0.611  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        2.441  -0.896   1.886  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        3.501  -1.625   2.335  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        4.587  -1.867   1.496  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.562  -1.354   0.207  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        5.750  -1.772  -0.319  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        6.134  -1.616  -1.243  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        6.463  -2.488   0.568  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        5.756  -2.553   1.690  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        3.500  -0.606  -0.290  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.942   1.910   0.552  0.00  0.00    +0.158 C 
BRANCH  16  20
ATOM     17 CL   LIG    1       -4.885  -2.394   0.225  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -4.472  -0.809  -0.302  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -3.423  -0.127   0.314  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -3.078   1.168  -0.105  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -3.804   1.757  -1.153  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.853   1.067  -1.765  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.188  -0.217  -1.339  0.00  0.00    +0.020 A 
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 3