REMARK  Name = BDB017552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.134   0.622   2.509  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.510   0.666   1.138  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.154   0.236  -0.048  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.497   0.499  -1.270  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.149   0.268  -2.486  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.707   0.517  -3.360  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.434  -0.170  -2.587  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.099  -0.577  -1.326  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.457  -1.215  -1.465  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.170  -1.376  -0.121  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.203  -1.894   0.932  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.049  -1.004   1.012  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.338  -1.358   1.647  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -4.988  -0.266  -3.678  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.208   1.043  -1.324  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.534   1.372  -0.150  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.482  -0.446  -0.133  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.203   1.199   1.068  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.857   1.970  -0.195  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.808   1.304   0.708  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.151  -0.068   0.277  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.383  -0.203  -0.651  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.568   0.477  -0.100  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        4.330   1.332   1.074  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        3.027   2.135   0.866  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.791  -0.184  -0.134  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        6.627  -0.067   0.925  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        7.826  -0.699   0.876  0.00  0.00    +0.151 A 
ATOM     29  C   LIG    1        8.251  -1.450  -0.199  0.00  0.00    +0.142 A 
ATOM     30  F   LIG    1        9.447  -2.050  -0.190  0.00  0.00    -0.204 F 
ATOM     31  C   LIG    1        7.417  -1.563  -1.293  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        6.178  -0.919  -1.261  0.00  0.00    +0.046 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3