REMARK  Name = BDB021865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.273   0.509   0.619  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.898  -0.701   0.291  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.273  -0.642   0.268  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.671   0.274   0.103  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.256  -1.718   0.037  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.178  -1.714   0.113  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -5.521  -1.389  -0.129  0.00  0.00    +0.182 A 
ATOM      8  F   LIG    1       -5.882  -0.097  -0.208  0.00  0.00    -0.200 F 
ATOM      9  C   LIG    1       -6.482  -2.380  -0.283  0.00  0.00    +0.195 A 
ATOM     10  F   LIG    1       -7.760  -2.047  -0.514  0.00  0.00    -0.199 F 
ATOM     11  C   LIG    1       -6.113  -3.713  -0.190  0.00  0.00    +0.161 A 
ATOM     12  F   LIG    1       -7.030  -4.679  -0.334  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -4.790  -4.062   0.060  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -3.822  -3.063   0.216  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        2.993   0.113   0.295  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        2.395  -0.031   1.642  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.875  -0.225   1.671  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        0.203   0.598   0.574  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        0.796   0.283  -0.809  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.121  -0.483  -0.725  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        4.407  -0.364   0.265  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        5.250   0.422   1.289  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.050  -0.236  -1.145  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.845  -2.030  -0.838  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.537  -0.602  -1.262  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1       -1.969   1.581   1.343  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.721   2.533   0.440  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.148   3.036  -0.737  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.857   3.922  -1.551  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.142   4.323  -1.194  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.718   3.844  -0.020  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.010   2.960   0.795  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7