REMARK  Name = BDB012600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.817  -1.119   0.793  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.908  -0.265   1.354  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.290  -0.545   0.728  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.119  -1.564  -0.187  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.153  -1.887  -0.120  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.558   0.124   0.990  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        1.554   1.105   1.930  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        2.725   1.724   2.174  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        3.912   1.419   1.528  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.909   0.410   0.563  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.704  -0.247   0.294  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.112   0.031  -0.157  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.152  -0.957  -1.109  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        6.394  -1.048  -1.567  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        7.126  -0.135  -0.918  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        8.112  -0.056  -1.139  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.373   0.568  -0.024  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -3.220  -1.232   1.150  0.00  0.00    +0.159 C 
BRANCH  18  21
ATOM     19 CL   LIG    1       -4.754  -2.770  -1.135  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -4.807  -1.067  -0.853  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.098  -0.460   0.197  0.00  0.00    -0.009 A 
ATOM     22  C   LIG    1       -4.200   0.936   0.348  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.988   1.699  -0.516  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.687   1.082  -1.548  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.596  -0.299  -1.717  0.00  0.00    +0.020 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4