REMARK  Name = BDB015963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.725   2.098   0.441  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.195   1.172   0.108  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.467   1.555  -0.100  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.833   2.897  -0.015  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.820   3.769   0.347  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.458   3.405   0.582  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.749  -0.209   0.766  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.449   0.266   0.532  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.103   1.628   0.684  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.125   2.509   1.080  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.424   2.055   1.317  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.733   0.704   1.162  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.141  -4.490  -0.040  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.124  -3.506   0.241  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        3.858  -3.906   0.447  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.202  -2.762   0.662  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.046  -1.625   0.605  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.290  -2.154   0.324  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.169   3.415  -0.287  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.667   4.456   0.404  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.889   4.659  -0.117  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.715   5.721   0.406  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.201   3.799  -1.123  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.105   2.982  -1.266  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.413   0.568  -0.420  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.225   0.690   0.183  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.020  -0.857  -0.503  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1       -1.541  -1.442   0.858  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1       -1.197  -2.873   0.922  0.00  0.00    -0.314 NA
ATOM     30  H   LIG    1       -1.312  -3.198   1.882  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -1.961  -3.708   0.008  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1       -1.425  -3.685  -1.432  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -0.499  -2.521  -1.795  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -1.130  -1.131  -1.725  0.00  0.00    +0.023 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5