REMARK  Name = BDB021247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119   0.187   0.680  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.348   1.377   0.599  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.026   1.231   0.599  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.565   2.492   0.486  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.482   3.342   0.443  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.663  -0.025   0.690  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.933  -1.106   0.763  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.699   2.645   0.517  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.438  -0.974   0.765  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.806  -0.625  -1.691  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.389  -0.230  -0.365  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        2.588   0.154   0.705  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.278   0.525   1.847  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        4.620   0.499   1.966  0.00  0.00    -0.203 NA
ATOM     15  C   LIG    1        5.295   0.100   0.883  0.00  0.00    +0.318 A 
ATOM     16  N   LIG    1        4.740  -0.271  -0.283  0.00  0.00    -0.200 NA
BRANCH  15  17
ATOM     17  O   LIG    1        6.663   0.087   1.036  0.00  0.00    -0.460 OA
BRANCH  17  18
ATOM     18  C   LIG    1        7.407  -0.307  -0.120  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        8.747  -0.839   0.383  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1        7.636   0.895  -1.034  0.00  0.00    +0.052 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1       -0.509   4.769   0.328  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.576   5.925   0.233  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.040  -0.069   0.691  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.531   0.765   0.992  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.749  -1.292   1.029  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.208  -1.122   0.720  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.696  -1.117  -0.584  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.973  -1.219  -1.875  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.164  -1.440  -2.808  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.359  -0.923  -2.178  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.046  -0.922  -0.843  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.969  -0.722   0.164  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.505  -0.730   1.479  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.143  -0.926   1.744  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.732  -0.904   3.020  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7