REMARK  Name = BDB014122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.328   0.684  -0.090  0.00  0.00    -0.237 N 
ATOM      2  C   LIG    1       -0.338  -0.089   1.013  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1       -1.577   0.686   1.139  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.678   1.708   0.251  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -2.908   2.292   0.507  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -3.547   1.669   1.515  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -2.700   0.672   1.883  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.076  -0.238   2.935  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.505   1.752  -0.562  0.00  0.00    +0.256 C 
ATOM     10  O   LIG    1       -0.307   2.552  -1.460  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.195   1.650  -3.031  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1        3.555   0.916  -1.882  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        4.251  -0.051  -1.109  0.00  0.00    +0.181 A 
ATOM     14  N   LIG    1        3.573  -0.679  -0.090  0.00  0.00    -0.195 N 
ATOM     15  C   LIG    1        4.476  -1.558   0.459  0.00  0.00    +0.152 A 
ATOM     16  N   LIG    1        5.626  -1.458  -0.177  0.00  0.00    -0.132 NA
ATOM     17  C   LIG    1        4.149  -2.457   1.584  0.00  0.00    +0.090 C 
ATOM     18  N   LIG    1        2.283  -0.478   0.302  0.00  0.00    -0.148 NA
ATOM     19  C   LIG    1        1.655   0.409  -0.410  0.00  0.00    +0.150 A 
ATOM     20  N   LIG    1        5.484  -0.508  -1.164  0.00  0.00    -0.128 NA
ATOM     21  C   LIG    1        2.270   1.153  -1.552  0.00  0.00    +0.053 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.589  -1.547   0.659  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.124  -2.558   1.517  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.344  -3.905   1.219  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.033  -4.255   0.060  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.306  -5.913  -0.304  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.502  -3.269  -0.803  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.281  -1.921  -0.507  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   5  29
ATOM     29  C   LIG    1       -3.490   3.512  -0.245  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -3.797   3.394  -1.716  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.919   3.470  -0.724  0.00  0.00    +0.010 C 
ENDBRANCH   5  29
TORSDOF 3