REMARK  Name = BDB032740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.967  -0.476  -0.090  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.355   0.275   0.904  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.830   1.175   1.569  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.975  -0.210   1.015  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.775  -1.175   0.029  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.549  -1.801  -0.095  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.468  -1.439   0.797  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.263  -0.454   1.795  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.986   0.171   1.903  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.017  -1.338  -0.780  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.597   2.090  -1.621  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.605   1.460  -1.265  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.363   1.754  -1.769  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.319   2.528  -2.417  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.196   1.041  -1.609  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.204   1.319  -2.280  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.271  -0.171  -0.667  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.375   0.023   0.373  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.697   0.273  -0.336  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.381  -0.096   2.745  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.575   0.195   2.014  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.787   1.495   1.709  0.00  0.00    +0.406 C 
ATOM     23  N   LIG    1        3.896   1.754   0.954  0.00  0.00    -0.235 N 
ATOM     24  H   LIG    1        4.004   2.735   0.754  0.00  0.00    +0.160 HD
ATOM     25  O   LIG    1        2.063   2.422   2.063  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.838   0.864   0.435  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        4.748  -0.459   0.653  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1        5.697  -1.257   0.121  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1        6.758  -0.797  -0.638  0.00  0.00    +0.066 A 
ATOM     30  C   LIG    1        6.848   0.569  -0.863  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1        5.874   1.408  -0.318  0.00  0.00    +0.089 A 
BRANCH  30  32
ATOM     32  O   LIG    1        7.815   1.214  -1.582  0.00  0.00    -0.406 OA
BRANCH  32  33
ATOM     33  C   LIG    1        8.839   0.427  -2.170  0.00  0.00    +0.575 C 
ATOM     34  F   LIG    1        8.325  -0.455  -3.052  0.00  0.00    -0.133 F 
ATOM     35  F   LIG    1        9.540  -0.236  -1.227  0.00  0.00    -0.133 F 
ATOM     36  F   LIG    1        9.687   1.243  -2.833  0.00  0.00    -0.133 F 
ENDBRANCH  32  33
ENDBRANCH  30  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7