REMARK  Name = BDB057207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.650  -0.230  -0.142  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1       -0.051   0.772   0.591  0.00  0.00    -0.277 N 
ATOM      3  H   LIG    1       -0.639   1.385   1.152  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.065  -1.124  -0.744  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.298   1.026   0.750  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1        1.631   2.156   1.693  0.00  0.00    +0.270 A 
ATOM      7  O   LIG    1        0.740   2.784   2.262  0.00  0.00    -0.266 OA
ATOM      8  N   LIG    1        2.962   2.433   1.874  0.00  0.00    -0.327 N 
ATOM      9  H   LIG    1        3.175   3.188   2.514  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1        3.976   1.749   1.251  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1        3.709   0.744   0.398  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.317   0.386   0.153  0.00  0.00    +0.038 A 
BRANCH  11  13
ATOM     13  C   LIG    1        4.836   0.037  -0.237  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        5.678   0.692  -1.139  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        6.718  -0.025  -1.707  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.969  -1.324  -1.440  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        6.136  -1.939  -0.574  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        5.068  -1.310   0.045  0.00  0.00    +0.028 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   1  21
ATOM     19  C   LIG    1       -4.272   0.931  -0.069  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -2.877   0.965  -0.058  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1       -2.141  -0.222  -0.149  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -2.808  -1.448  -0.283  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -4.201  -1.487  -0.296  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.928  -0.296  -0.182  0.00  0.00    +0.091 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.294   2.181   0.015  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.871   2.156   0.033  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
BRANCH  23  27
ATOM     27  O   LIG    1       -4.971  -2.613  -0.412  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1       -4.285  -3.847  -0.589  0.00  0.00    +0.277 C 
ENDBRANCH  23  27
ENDBRANCH   1  21
TORSDOF 5