REMARK  Name = BDB034494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.097  -4.166  -1.716  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.480  -2.871  -1.478  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.093  -2.849  -1.265  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1        0.574  -3.875  -1.113  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.637  -1.562  -1.131  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1        0.629  -0.728  -2.201  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1        1.261   0.464  -2.044  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        1.904   0.868  -0.882  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1        2.506   2.146  -0.804  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        3.079   2.522   0.308  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1        3.102   1.626   1.428  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1        2.537   0.380   1.345  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        2.723  -0.234   2.553  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1        3.356   0.548   3.402  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        3.587   1.715   2.713  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        1.904  -0.052   0.176  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        1.288  -1.294   0.066  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1        3.647   3.762   0.331  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1        4.468   3.867   0.913  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        3.764   4.146  -0.601  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -2.404  -1.725  -1.462  0.00  0.00    +0.147 C 
ATOM     22  C   LIG    1       -2.216  -0.746  -0.361  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -2.171   0.533  -0.892  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -1.978   1.645  -0.098  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -1.838   1.464   1.288  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -1.905   0.158   1.828  0.00  0.00    +0.013 A 
ATOM     27  O   LIG    1       -2.306   0.590  -2.252  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1       -2.106  -0.953   1.005  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.374  -0.793  -2.687  0.00  0.00    +0.256 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -1.575   2.647   2.187  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -0.245   2.860   2.379  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -2.079   3.816   1.702  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -2.114   2.498   3.430  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4