REMARK  Name = BDB019729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297  -1.160   0.067  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.598  -0.894   0.523  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        2.717  -1.279  -0.233  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        2.507  -1.933  -1.449  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1        3.554  -2.316  -2.195  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.223  -2.216  -1.907  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.114  -1.833  -1.149  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -2.047  -0.536   0.284  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -2.122  -0.497  -0.727  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -0.849  -0.735   0.919  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -0.693  -0.558   2.122  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -3.202  -0.032   0.995  0.00  0.00    +0.160 C 
BRANCH  12  15
ATOM     13  C   LIG    1       -6.731   0.572  -0.234  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1       -5.646   0.421   0.624  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1       -4.399   0.117   0.080  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1       -4.196  -0.029  -1.259  0.00  0.00    -0.258 NA
ATOM     17  C   LIG    1       -5.268   0.123  -2.064  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1       -6.537   0.419  -1.603  0.00  0.00    +0.065 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -8.267   1.032   1.524  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -8.015   0.866   0.134  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  15
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1        4.112  -0.970   0.239  0.00  0.00    +0.142 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.444   0.404  -0.085  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        3.724   1.058   0.206  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.658   0.928   0.181  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1        6.750   0.163  -0.074  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1        6.671  -0.362  -0.937  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        7.901   1.040   0.002  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1        7.321   2.242   0.753  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1        5.840   2.135   0.630  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7