REMARK  Name = BDB003535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.066  -1.150  -0.553  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.843  -0.517  -0.801  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -1.159   0.061   0.261  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.159   0.809   0.260  0.00  0.00    +0.218 C 
ATOM      5  N   LIG    1        1.276  -0.031  -0.178  0.00  0.00    -0.290 N 
ATOM      6  C   LIG    1        2.230   0.459  -1.042  0.00  0.00    +0.146 A 
ATOM      7  N   LIG    1        3.155  -0.447  -1.288  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1        2.808  -1.539  -0.536  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1        3.467  -2.772  -0.420  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.935  -3.747   0.429  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        1.770  -3.497   1.152  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.097  -2.273   1.048  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.150   1.819  -1.550  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        1.024   2.597  -1.219  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        0.930   3.893  -1.741  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        1.957   4.427  -2.523  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.082   3.660  -2.818  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.176   2.356  -2.337  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        1.638  -1.308   0.187  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        0.315   1.161   1.786  0.00  0.00    +0.269 C 
ATOM     21  N   LIG    1       -0.824   0.666   2.443  0.00  0.00    -0.270 N 
ATOM     22  C   LIG    1       -1.066   0.795   3.856  0.00  0.00    +0.138 C 
ATOM     23  O   LIG    1        1.224   1.790   2.311  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -0.066   2.060  -0.517  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -0.566   2.765   0.018  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -1.688   0.023   1.552  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -2.894  -0.595   1.820  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -3.584  -1.187   0.754  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  30
ATOM     29  C   LIG    1       -4.893  -2.367  -1.475  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -3.656  -1.690  -1.662  0.00  0.00    -0.495 OA
ENDBRANCH   1  30
TORSDOF 1