REMARK  Name = BDB002555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.772  -0.578  -0.887  0.00  0.00    +0.104 C 
ATOM      2  N   LIG    1       -2.082  -0.533   0.401  0.00  0.00    -0.322 N 
ATOM      3  H   LIG    1       -2.547  -1.053   1.146  0.00  0.00    +0.148 HD
ATOM      4  C   LIG    1       -0.735  -0.420   0.417  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1       -0.043   0.010  -0.685  0.00  0.00    -0.238 N 
ATOM      6  N   LIG    1        1.293  -0.033  -0.529  0.00  0.00    -0.164 NA
ATOM      7  C   LIG    1        1.455  -0.402   0.763  0.00  0.00    +0.149 A 
ATOM      8  C   LIG    1       -0.662   0.303  -1.967  0.00  0.00    +0.215 C 
ATOM      9  C   LIG    1        0.204  -0.655   1.387  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -2.183   0.498  -1.808  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -7.041  -0.015  -0.344  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -6.139   0.861   0.258  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -4.762   0.680   0.088  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -4.261  -0.381  -0.683  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1       -5.176  -1.255  -1.285  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -6.551  -1.071  -1.115  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -8.952   1.101   0.522  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -8.404   0.048  -0.261  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  C   LIG    1        2.792  -0.522   1.373  0.00  0.00    +0.268 C 
ATOM     20  N   LIG    1        3.789  -0.177   0.481  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1        3.432   0.101  -0.430  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.937  -0.889   2.533  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.179  -0.162   0.681  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        5.793  -0.522   1.885  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        7.172  -0.464   1.951  0.00  0.00    +0.168 A 
ATOM     26  O   LIG    1        7.928  -0.779   3.039  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        9.254  -0.532   2.530  0.00  0.00    +0.466 C 
ATOM     28  O   LIG    1        9.269  -0.082   1.160  0.00  0.00    -0.453 OA
ATOM     29  C   LIG    1        7.938  -0.067   0.882  0.00  0.00    +0.166 A 
ATOM     30  C   LIG    1        7.370   0.295  -0.317  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1        5.974   0.246  -0.413  0.00  0.00    +0.027 A 
ENDBRANCH  20  23
ENDBRANCH   7  19
BRANCH   8  32
ATOM     32  C   LIG    1       -0.055   1.526  -2.619  0.00  0.00    +0.412 C 
ATOM     33  F   LIG    1        1.247   1.368  -2.943  0.00  0.00    -0.168 F 
ATOM     34  F   LIG    1       -0.703   1.792  -3.785  0.00  0.00    -0.168 F 
ATOM     35  F   LIG    1       -0.167   2.633  -1.852  0.00  0.00    -0.168 F 
ENDBRANCH   8  32
TORSDOF 5