REMARK  Name = BDB027837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.776  -0.833  -0.153  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -0.372  -2.182  -0.296  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.989  -2.469  -0.096  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        1.409  -3.792  -0.254  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        0.595  -4.822  -0.575  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1       -0.709  -4.531  -0.741  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.873  -1.445   0.260  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.389  -0.153   0.417  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -1.232  -3.255  -0.615  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        0.085   0.146   0.203  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.245   0.979   0.821  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.302   0.828   1.730  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.070   1.933   2.068  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.867   3.169   1.572  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.843   3.309   0.707  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.021   2.265   0.312  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.144  -0.495  -0.343  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1       -2.434  -0.879  -1.243  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.547   0.957  -0.186  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -3.854   1.181   0.570  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -2.555   1.562   1.209  0.00  0.00    +0.037 C 
BRANCH  19  23
ATOM     22  F   LIG    1       -2.488   1.224  -2.535  0.00  0.00    -0.168 F 
ATOM     23  C   LIG    1       -2.246   1.882  -1.371  0.00  0.00    +0.411 C 
ATOM     24  F   LIG    1       -3.033   2.986  -1.363  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -0.961   2.300  -1.394  0.00  0.00    -0.168 F 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4