REMARK  Name = BDB031236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.443  -2.420  -0.899  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.374  -2.414  -1.805  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.420  -1.390  -1.722  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.328  -1.172  -2.512  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.273  -0.104  -2.021  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        0.447   0.432  -0.956  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        1.527  -0.416  -0.733  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.597  -0.401   0.178  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.546  -1.428   0.084  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.149   1.607  -0.218  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        0.165   1.560   1.185  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -0.150   2.727   1.839  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -0.459   3.904   1.161  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -0.729   4.885   2.108  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -0.987   5.844   1.942  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -0.600   4.325   3.387  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -0.770   4.894   4.450  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -0.469   3.982  -0.211  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -0.237   2.983   3.203  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -0.087   2.336   3.960  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -0.160   2.808  -0.910  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        6.801  -4.153  -0.814  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.734  -3.201  -0.626  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.987  -2.227  -0.537  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.445  -3.515  -1.009  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.117  -4.610  -1.449  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -1.630   0.360  -2.471  0.00  0.00    +0.110 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.691   0.299  -1.392  0.00  0.00    -0.037 A 
ATOM     29  C   LIG    1       -2.944  -0.899  -0.703  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -3.913  -0.966   0.303  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1       -4.647   0.176   0.620  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1       -4.418   1.370  -0.069  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -3.451   1.430  -1.073  0.00  0.00    +0.004 A 
BRANCH  30  34
ATOM     34  O   LIG    1       -4.038  -2.192   0.895  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -5.037  -2.324   1.898  0.00  0.00    +0.277 C 
ENDBRANCH  30  34
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 5