REMARK  Name = BDB027930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.887  -0.481  -1.421  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -0.731  -0.398  -2.431  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        4.501   0.563   2.353  0.00  0.00    +0.149 C 
ATOM      4  N   LIG    1        4.058   0.131   1.047  0.00  0.00    -0.350 N 
ATOM      5  C   LIG    1        2.742   0.067   0.639  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.747  -0.397  -0.676  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.515  -0.560  -1.344  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        0.299  -0.232  -0.717  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.342   0.190   0.614  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        4.103  -0.615  -1.042  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        1.549   0.362   1.310  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.888  -0.278   0.037  0.00  0.00    +0.086 A 
ENDBRANCH   1   8
BRANCH   1  13
ATOM     13  C   LIG    1       -2.145   0.172  -1.032  0.00  0.00    +0.158 C 
ATOM     14  C   LIG    1       -2.970   0.474  -2.298  0.00  0.00    +0.239 C 
ATOM     15  O   LIG    1       -2.462   0.608  -3.412  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -4.326   0.613  -2.125  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.858   0.808  -2.962  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -5.060   0.258  -1.023  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -6.287   0.282  -1.045  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.281  -0.108   0.217  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.957  -0.763  -0.138  0.00  0.00    +0.041 C 
ENDBRANCH   1  13
TORSDOF 2