REMARK  Name = BDB034327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.011  -0.096   1.237  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1       -1.743   0.757   0.751  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -6.032   1.064  -1.748  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -6.507   0.589  -0.516  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -5.657   0.180   0.503  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -4.258   0.261   0.313  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.413  -0.146   1.388  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.018  -0.681   2.526  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -5.398  -0.717   2.602  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -3.780   0.733  -0.934  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -6.217  -0.284   1.626  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1       -4.653   1.134  -1.947  0.00  0.00    +0.013 A 
BRANCH   3  14
ATOM     13  F   LIG    1       -7.418   2.793  -2.623  0.00  0.00    -0.166 F 
ATOM     14  C   LIG    1       -6.999   1.512  -2.813  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -6.468   1.476  -4.067  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.127   0.751  -2.866  0.00  0.00    -0.166 F 
ENDBRANCH   3  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.131  -0.388   2.365  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.334  -0.267   1.938  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.741  -1.378   0.964  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.164  -1.347   0.623  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1        2.731  -1.189   1.455  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.486  -0.333  -0.379  0.00  0.00    +0.116 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.972  -0.312  -0.658  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        4.762   0.765  -0.216  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.147   0.772  -0.478  0.00  0.00    -0.000 A 
ATOM     26  C   LIG    1        6.705  -0.302  -1.171  0.00  0.00    +0.046 A 
ATOM     27  N   LIG    1        8.053  -0.049  -1.290  0.00  0.00    -0.361 N 
ATOM     28  H   LIG    1        8.711  -0.664  -1.750  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1        8.366   1.146  -0.699  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1        5.947  -1.389  -1.616  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1        7.204   1.677  -0.186  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        4.574  -1.374  -1.345  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8