REMARK  Name = BDB007316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.043  -1.913   1.814  0.00  0.00    -0.291 OA
ATOM      2  C   LIG    1       -3.066  -1.375   1.396  0.00  0.00    +0.175 C 
ATOM      3  C   LIG    1       -3.004  -0.076   0.675  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1       -1.639   0.499   0.346  0.00  0.00    +0.089 C 
ATOM      5  C   LIG    1       -1.762   1.880  -0.234  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -3.013   2.474  -0.524  0.00  0.00    +0.148 A 
ATOM      7  N   LIG    1       -4.149   1.797  -0.263  0.00  0.00    -0.300 N 
ATOM      8  H   LIG    1       -5.036   2.258  -0.433  0.00  0.00    +0.153 HD
ATOM      9  N   LIG    1       -2.894   3.696  -1.032  0.00  0.00    -0.158 NA
ATOM     10  N   LIG    1       -1.560   3.889  -1.070  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1       -1.212   4.768  -1.439  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1       -0.836   2.838  -0.584  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -4.164   0.554   0.367  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1       -5.515  -0.030   0.722  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -5.469  -1.000   1.816  0.00  0.00    -0.304 NA
ATOM     16  H   LIG    1       -5.247  -0.508   2.683  0.00  0.00    +0.123 HD
ATOM     17  C   LIG    1       -4.437  -2.017   1.567  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   4  18
ATOM     18  C   LIG    1       -0.873  -0.296  -0.705  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1        0.446  -0.702  -0.433  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        1.188  -1.403  -1.387  0.00  0.00    +0.132 A 
ATOM     21  C   LIG    1        0.607  -1.749  -2.607  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -0.701  -1.360  -2.891  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.435  -0.635  -1.950  0.00  0.00    +0.005 A 
BRANCH  20  24
ATOM     24  O   LIG    1        2.466  -1.853  -1.161  0.00  0.00    -0.425 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.376  -1.090  -0.560  0.00  0.00    +0.302 A 
ATOM     26  N   LIG    1        4.571  -1.620  -0.160  0.00  0.00    -0.308 N 
ATOM     27  H   LIG    1        4.838  -2.586  -0.265  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        5.314  -0.618   0.407  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1        4.500   0.506   0.303  0.00  0.00    +0.093 A 
ATOM     30  C   LIG    1        4.965   1.734   0.794  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        6.238   1.786   1.377  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.032   0.640   1.467  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        6.586  -0.595   0.981  0.00  0.00    +0.028 A 
ATOM     34  N   LIG    1        3.307   0.198  -0.303  0.00  0.00    -0.195 NA
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   4  18
TORSDOF 3