REMARK  Name = BDB021870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.254  -0.019   0.044  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.895   1.233   0.020  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.270   1.169   0.024  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.683   0.318   0.383  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.256   2.282   0.000  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.184   2.234  -0.130  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -5.534   1.962   0.129  0.00  0.00    +0.145 A 
ATOM      8  F   LIG    1       -5.898   0.729   0.515  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -6.516   2.940  -0.004  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -6.154   4.222  -0.410  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.816   4.509  -0.682  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.834   3.519  -0.546  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.974  -0.504  -0.237  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.187  -1.647   0.213  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.869  -1.173   0.835  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.228  -0.006   0.055  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.805   0.094  -1.361  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.329   0.251  -1.319  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.409  -0.796  -0.429  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        4.695  -1.779  -1.574  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        5.213   0.519  -0.581  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.467   1.648  -0.539  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.730   0.317  -0.517  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.931  -1.236  -0.423  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.778  -1.933   0.622  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.576  -1.760   1.999  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.375  -2.430   2.927  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.381  -3.289   2.492  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.588  -3.481   1.128  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.789  -2.812   0.199  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7