REMARK  Name = BDB014040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.459   0.230   0.706  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -1.344   1.201   0.329  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.639   2.224  -0.307  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.030   0.900   0.688  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.373  -0.156   1.588  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.234  -1.427   1.685  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        0.278  -2.366   2.622  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.355  -2.079   3.452  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        1.954  -0.839   3.364  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.360  -1.993   0.850  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        1.470   0.098   2.448  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.165  -1.065  -0.031  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -4.941   0.359   0.722  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -3.727   0.811   0.263  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -3.656   1.651  -0.305  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -5.028  -0.629   1.452  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -6.179   1.125   0.185  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -6.062   2.641   0.346  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -7.672   0.989   2.148  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -7.427   0.572   0.771  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -7.318  -0.447   0.776  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        0.991   1.848   0.198  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.128   1.190  -0.559  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.460   1.473  -0.234  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.507   0.878  -0.946  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        4.254  -0.005  -2.007  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        2.917  -0.270  -2.337  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        1.867   0.322  -1.628  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.358  -0.631  -2.752  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1        5.445  -0.517  -4.149  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        6.494  -1.110  -4.858  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.474  -1.830  -4.179  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.406  -1.956  -2.794  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.358  -1.361  -2.087  0.00  0.00    +0.008 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6