REMARK  Name = BDB000914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.963  -0.779  -1.692  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        0.370  -0.974  -1.926  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        0.763  -1.187  -2.832  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.036  -0.829  -0.739  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        0.034  -0.541   0.182  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        0.380  -0.330   1.524  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.731  -0.413   1.893  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        2.731  -0.700   0.948  0.00  0.00    -0.031 A 
ATOM      9  C   LIG    1        2.387  -0.920  -0.400  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1       -1.202  -0.512  -0.420  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.435  -0.670  -2.604  0.00  0.00    +0.082 A 
ATOM     12  C   LIG    1       -2.046  -0.865  -2.808  0.00  0.00    +0.149 A 
ATOM     13  N   LIG    1       -1.745  -1.134  -4.086  0.00  0.00    -0.169 NA
ATOM     14  N   LIG    1       -2.950  -1.105  -4.693  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1       -2.993  -1.283  -5.691  0.00  0.00    +0.188 HD
ATOM     16  C   LIG    1       -3.986  -0.829  -3.850  0.00  0.00    +0.129 A 
BRANCH  11  19
ATOM     17  O   LIG    1       -6.273  -0.340  -2.062  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -5.403  -0.211  -1.206  0.00  0.00    +0.248 C 
ATOM     19  N   LIG    1       -4.048  -0.379  -1.398  0.00  0.00    -0.278 N 
ATOM     20  H   LIG    1       -3.408  -0.345  -0.606  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -5.811   0.131   0.189  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -7.085  -0.260   0.622  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -7.511   0.038   1.918  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.670   0.736   2.784  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.407   1.143   2.355  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.976   0.847   1.059  0.00  0.00    +0.013 A 
ENDBRANCH  18  21
ENDBRANCH  11  19
ENDBRANCH   1  12
BRANCH   8  27
ATOM     27  C   LIG    1        4.183  -0.794   1.380  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.064   0.133   0.652  0.00  0.00    -0.294 NA
ATOM     29  C   LIG    1        6.481  -0.170   0.948  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1        7.423   0.823   0.251  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1        7.137   2.171   0.648  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1        5.779   2.497   0.324  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1        4.796   1.542   1.019  0.00  0.00    +0.113 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5