REMARK  Name = BDB051013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.430  -1.876  -0.587  0.00  0.00    -0.215 N 
ATOM      2  C   LIG    1        2.217  -0.956  -1.226  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        1.840  -0.136  -2.053  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1        3.646  -1.124  -0.695  0.00  0.00    +0.138 C 
ATOM      5  C   LIG    1        4.157   0.085   0.039  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        5.105   0.760  -0.741  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        5.701   1.929  -0.293  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        5.340   2.422   0.968  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        4.384   1.745   1.749  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        5.284   0.091  -2.069  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.782   0.573   1.283  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        4.693  -1.303  -1.803  0.00  0.00    +0.045 C 
ATOM     13  N   LIG    1        3.494  -2.285   0.138  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1        4.160  -2.584   0.837  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1        2.167  -2.625   0.277  0.00  0.00    +0.310 C 
ATOM     16  O   LIG    1        1.755  -3.458   1.067  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1        5.941   3.627   1.462  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1        6.434   4.600   1.859  0.00  0.00    -0.191 NA
ENDBRANCH   8  17
BRANCH   1  19
ATOM     19  C   LIG    1       -0.013  -1.886  -0.636  0.00  0.00    +0.213 C 
BRANCH  19  21
ATOM     20  N   LIG    1       -1.950  -0.792   0.530  0.00  0.00    -0.293 N 
ATOM     21  C   LIG    1       -0.560  -0.918   0.425  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        0.209  -0.262   1.135  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.215  -2.898   0.768  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -2.901  -1.707  -0.142  0.00  0.00    +0.076 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.098  -0.965  -0.685  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.247  -1.700  -1.337  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.467  -0.970  -0.043  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
BRANCH  20  28
ATOM     28  C   LIG    1       -2.463   0.125   1.559  0.00  0.00    +0.143 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.840   1.492   1.029  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.936   2.260   0.280  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.292   3.527  -0.187  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.551   4.049   0.099  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.453   3.307   0.858  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.097   2.040   1.325  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7