REMARK  Name = BDB015977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.915   2.004  -0.262  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.932   1.118  -0.012  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.307   1.586   0.243  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -0.578   2.956   0.273  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.501   3.777   0.003  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.745   3.337  -0.273  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.804  -0.435  -0.802  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.527   0.087  -0.534  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.264   1.474  -0.547  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.342   2.329  -0.844  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.617   1.827  -1.115  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.845   0.452  -1.094  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.921  -4.902  -0.313  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.978  -3.838  -0.556  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.715  -4.141  -0.901  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.133  -2.946  -1.033  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.021  -1.872  -0.782  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.213  -2.497  -0.472  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.881   3.517   0.581  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.442   4.612  -0.045  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -3.666   4.796   0.532  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -4.633   5.819   0.214  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -3.947   3.896   1.489  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -2.857   3.124   1.526  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.337   0.657   0.509  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.132   0.891  -0.082  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -0.963  -0.750   0.387  0.00  0.00    +0.103 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.123  -1.646   0.835  0.00  0.00    +0.021 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.333  -1.577  -0.109  0.00  0.00    +0.036 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.430  -2.618   0.192  0.00  0.00    +0.061 C 
ATOM     31  C   LIG    1       -4.986  -2.489   1.612  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -5.564  -2.483  -0.830  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -3.860  -3.920   0.044  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -4.551  -4.576   0.242  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9