REMARK  Name = BDB046962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.063   0.504   0.933  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        0.456  -0.158  -0.184  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.928   0.091  -0.139  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.806  -0.423  -1.120  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.273  -0.196  -1.173  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.981   0.224  -0.078  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -4.979   0.247  -0.256  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -3.521   0.326   1.287  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -2.422   1.362   1.444  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -3.893  -0.399  -2.215  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.242  -1.194  -2.156  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        0.120  -1.458  -2.214  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -1.138   0.876   0.975  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        0.971  -0.947  -1.236  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.044   1.133   1.618  0.00  0.00    +0.096 A 
ENDROOT
BRANCH   1  17
ATOM     16  N   LIG    1        3.362  -0.057   0.667  0.00  0.00    -0.093 NA
ATOM     17  C   LIG    1        2.452   0.564   1.343  0.00  0.00    +0.163 C 
BRANCH  16  19
ATOM     18  C   LIG    1        5.601  -0.518   0.517  0.00  0.00    +0.313 C 
ATOM     19  O   LIG    1        4.608   0.163   1.274  0.00  0.00    -0.397 OA
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 2