REMARK  Name = BDB053700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.510  -0.033  -0.613  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.557  -0.936  -0.263  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1       -1.094  -2.245  -0.427  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        0.290  -2.110  -0.880  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.026  -3.190  -1.161  0.00  0.00    +0.096 A 
ATOM      6  N   LIG    1        0.474  -4.438  -0.999  0.00  0.00    -0.328 N 
ATOM      7  H   LIG    1        1.018  -5.266  -1.212  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1       -0.816  -4.661  -0.572  0.00  0.00    +0.251 A 
ATOM      9  O   LIG    1       -1.277  -5.789  -0.434  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.639  -3.457  -0.279  0.00  0.00    +0.096 A 
ATOM     11  C   LIG    1        0.616  -0.699  -0.971  0.00  0.00    +0.107 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.880  -0.173  -1.506  0.00  0.00    +0.252 C 
ATOM     13  N   LIG    1        2.960  -0.106  -0.643  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        2.956  -0.504   0.769  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        4.365  -0.875   1.267  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        5.390   0.163   1.078  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1        5.503   0.702   1.937  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        5.053   1.092  -0.016  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1        4.210   0.472  -1.142  0.00  0.00    +0.123 C 
ATOM     20  O   LIG    1        1.948   0.141  -2.694  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   2  21
ATOM     21  C   LIG    1       -2.919  -0.496   0.062  0.00  0.00    +0.091 C 
ATOM     22  C   LIG    1       -3.358  -0.982   1.451  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.774  -0.512   1.778  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.767  -0.923   0.694  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.333  -0.436  -0.686  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.918  -0.901  -1.030  0.00  0.00    +0.025 C 
ENDBRANCH   2  21
BRANCH   1  27
ATOM     27  O   LIG    1       -0.761   1.324  -0.636  0.00  0.00    -0.438 OA
BRANCH  27  30
ATOM     28  C   LIG    1        0.507   3.000  -2.583  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1        0.855   3.017  -1.120  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        0.212   2.187  -0.185  0.00  0.00    +0.136 A 
ATOM     31  C   LIG    1        0.472   2.313   1.193  0.00  0.00    -0.008 A 
ATOM     32  C   LIG    1       -0.270   1.504   2.218  0.00  0.00    +0.047 C 
ATOM     33  C   LIG    1        1.448   3.227   1.615  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1        2.118   4.027   0.691  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        1.814   3.932  -0.666  0.00  0.00    +0.007 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 4