REMARK  Name = BDB057974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.083  -2.271   0.561  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -1.736  -1.056   0.287  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.957   0.089   0.039  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        0.455   0.072   0.064  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1        1.245   1.369  -0.217  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.729   1.108  -0.131  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        3.341  -0.096   0.152  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        2.578  -1.301   0.409  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1        3.104  -2.380   0.659  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        4.749   0.118   0.130  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.954   1.466  -0.170  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        6.232   2.032  -0.274  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        7.337   1.193  -0.064  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        7.160  -0.160   0.237  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        5.874  -0.706   0.337  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.713   2.044  -0.323  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        3.563   3.019  -0.545  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        0.911   1.880  -1.636  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        0.866   2.442   0.827  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1        1.088  -1.157   0.351  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        0.320  -2.307   0.596  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   2  22
ATOM     22  N   LIG    1       -3.138  -1.011   0.246  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1       -3.789  -0.039   1.154  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.537   1.070   0.379  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -5.577   0.560  -0.542  0.00  0.00    -0.302 NA
ATOM     26  C   LIG    1       -5.888   1.550  -1.569  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -5.191  -0.743  -1.129  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -3.673  -1.030  -1.133  0.00  0.00    +0.120 C 
ENDBRANCH   2  22
BRANCH   1  30
ATOM     29  C   LIG    1       -2.221  -3.633   2.342  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -1.849  -3.539   0.870  0.00  0.00    +0.033 C 
ENDBRANCH   1  30
BRANCH  13  31
ATOM     31  C   LIG    1        8.662   1.734  -0.162  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1        9.730   2.180  -0.243  0.00  0.00    -0.191 NA
ENDBRANCH  13  31
TORSDOF 3