REMARK  Name = BDB008601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.143  -0.175  -1.665  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1        1.653   0.653  -2.687  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        0.282   0.875  -2.809  0.00  0.00    +0.169 A 
ATOM      4  F   LIG    1       -0.194   1.650  -3.794  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1       -0.613   0.319  -1.903  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -0.151  -0.495  -0.858  0.00  0.00    -0.021 A 
ATOM      7  C   LIG    1        1.234  -0.736  -0.757  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   2   8
ATOM      8  O   LIG    1        2.467   1.226  -3.635  0.00  0.00    -0.489 OA
ATOM      9  C   LIG    1        3.316   2.217  -3.057  0.00  0.00    +0.277 C 
ENDBRANCH   2   8
BRANCH   6  10
ATOM     10  C   LIG    1       -1.170  -1.052   0.133  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -0.742  -2.320   0.885  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.684  -0.023   1.072  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.044   0.154   1.375  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -3.426   1.061   2.123  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.066  -0.831   0.766  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.156  -0.643  -0.657  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -5.117  -1.534  -1.238  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -6.507  -1.350  -0.613  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -6.485  -1.534   0.849  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.226  -2.497   1.059  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.457  -0.628   1.413  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -0.750   0.976   1.572  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -0.620   1.262   3.050  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        0.525   0.652   2.309  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  25
ATOM     25  O   LIG    1        3.497  -0.367  -1.637  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.070  -1.275  -0.704  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.350  -0.653   0.667  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.223   0.597   0.599  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.189   2.918   0.192  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        4.418   1.726   0.267  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10