REMARK  Name = BDB027825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.851  -0.650  -0.162  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.362  -1.836   0.442  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.752  -1.933   0.637  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        3.219  -3.105   1.214  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.464  -4.159   1.619  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.139  -4.032   1.442  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.613  -0.956   0.304  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        3.128   0.182  -0.241  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1        0.553  -2.914   0.872  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        1.764   0.361  -0.461  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.144   1.206  -0.554  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.023   2.098  -1.625  0.00  0.00    +0.151 A 
ATOM     13  F   LIG    1        2.967   2.063  -2.451  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        5.020   3.034  -1.858  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1        6.136   3.153  -1.105  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        6.257   2.284  -0.081  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        5.310   1.316   0.225  0.00  0.00    +0.032 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -0.525  -0.528  -0.354  0.00  0.00    -0.338 N 
ATOM     19  H   LIG    1       -0.904  -1.405  -0.711  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.332   0.619  -0.812  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -1.050   0.918  -2.294  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -1.117   1.865   0.061  0.00  0.00    +0.031 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.832   0.182  -0.713  0.00  0.00    +0.040 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.318  -0.122   0.717  0.00  0.00    +0.086 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.704   0.214   0.329  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -4.663  -0.732   0.738  0.00  0.00    -0.308 NA
ATOM     27  C   LIG    1       -4.959  -1.233   2.084  0.00  0.00    +0.104 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6