REMARK  Name = BDB007703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.628   0.696  -0.032  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.427   0.123   0.649  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        0.203  -0.681   1.230  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.466   1.536  -0.909  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.209   1.712  -1.217  0.00  0.00    +0.050 C 
ATOM      6  C   LIG    1       -3.177   0.662  -0.148  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.987   0.177   0.389  0.00  0.00    +0.133 A 
ATOM      8  N   LIG    1       -1.919  -0.798   1.333  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -3.090  -1.284   1.733  0.00  0.00    +0.224 A 
ATOM     10  N   LIG    1       -4.288  -0.887   1.300  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1       -4.334   0.086   0.374  0.00  0.00    +0.126 A 
BRANCH  11  12
ATOM     12  N   LIG    1       -5.592   0.516  -0.089  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1       -5.643   1.523   0.050  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -6.779  -0.162   0.459  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1       -6.935  -1.566  -0.149  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -8.396  -1.953  -0.338  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1       -9.184  -1.413   0.716  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1       -9.282   0.010   0.653  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1       -8.015   0.683   0.134  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        1.814   0.351   0.281  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.222  -0.478  -0.947  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.194  -1.878  -0.622  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.360  -2.363  -1.448  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.600  -0.057  -1.516  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.698   0.120  -0.543  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.856   0.748  -1.217  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        7.095   0.850  -0.355  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.257   0.032   0.775  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.428   0.121   1.539  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.445   1.000   1.169  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.297   1.800   0.038  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.143  -0.888   1.198  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        8.130   1.724  -0.722  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.122  -1.144   0.080  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8