REMARK  Name = BDB004699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.265  -0.289   0.862  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.311  -0.178  -0.078  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.598  -0.541   0.364  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.656  -0.453  -0.567  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.437  -0.007  -1.885  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.170   0.366  -2.303  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.790  -0.953   1.638  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.730  -0.990   2.453  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.116   0.282  -1.405  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.478  -0.679   2.127  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.070  -0.818  -0.238  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.965  -0.737  -1.074  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.356  -1.249   1.022  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.630  -1.309   1.730  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.310  -1.484   1.256  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.051   0.042   0.475  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.303  -0.496  -0.349  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.058  -0.101   1.520  0.00  0.00    +0.138 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -4.916   0.911  -0.163  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -3.956   1.905   0.056  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -2.711   1.575   0.597  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.412   0.247   0.939  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -3.380  -0.744   0.725  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.627  -0.415   0.182  0.00  0.00    +0.013 A 
BRANCH  19  28
ATOM     25  N   LIG    1       -6.965   0.346  -1.367  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -6.555  -0.521  -1.682  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -7.785   0.676  -1.860  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -6.227   1.312  -0.740  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1       -6.625   2.469  -0.692  0.00  0.00    -0.270 OA
ENDBRANCH  19  28
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5