REMARK  Name = BDB021735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.369  -1.077  -0.398  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.166   0.077  -0.347  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.521  -0.187  -0.336  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.771  -1.093   0.032  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.689   1.205  -0.294  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.574   0.742  -0.451  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        3.407   2.054  -0.888  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1        4.514   2.896  -0.992  0.00  0.00    +0.167 A 
ATOM      9  F   LIG    1        4.321   4.154  -1.419  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        5.803   2.460  -0.672  0.00  0.00    +0.155 A 
ATOM     11  C   LIG    1        5.972   1.144  -0.243  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        4.864   0.291  -0.139  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1        6.801   3.384  -0.818  0.00  0.00    -0.492 OA
ATOM     14  C   LIG    1        8.117   2.985  -0.460  0.00  0.00    +0.277 C 
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -3.727   0.331  -0.011  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -3.303  -0.313  -1.266  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -1.782  -0.312  -1.446  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -1.098  -0.968  -0.248  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -1.548  -0.284   1.045  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -3.074  -0.307   1.150  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.203   0.379   0.157  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -5.979   0.769  -1.116  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.648   1.278   1.344  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.215   3.618   0.349  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -4.982   2.653   1.498  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        0.861  -2.307  -1.034  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.611  -3.228  -0.096  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        2.707  -3.961  -0.579  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.411  -4.826   0.261  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.022  -4.977   1.589  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.927  -4.269   2.078  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.221  -3.404   1.239  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8