REMARK  Name = BDB008581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.763   0.799  -0.694  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1       -1.790  -0.010  -0.161  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.201  -0.276   1.143  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.393  -1.092   1.972  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -0.191  -1.601   1.418  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.207  -1.337   0.099  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -3.439   0.425   1.276  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -4.342   0.510   2.452  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -0.604  -0.521  -0.705  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -3.771   1.070   0.152  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.752  -1.424   3.398  0.00  0.00    +0.418 C 
ATOM     12  F   LIG    1       -1.834  -0.320   4.190  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -2.954  -2.055   3.505  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -0.852  -2.247   4.010  0.00  0.00    -0.166 F 
ENDBRANCH   4  11
BRANCH   6  15
ATOM     15  C   LIG    1        1.524  -1.868  -0.477  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1        1.766  -3.350  -0.172  0.00  0.00    +0.033 C 
BRANCH  15  17
ATOM     17  N   LIG    1        2.647  -0.952  -0.146  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1        2.850   0.099  -1.060  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        2.359   0.066  -2.199  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.607   1.386  -0.650  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        4.898   1.222  -0.071  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1        5.509   2.485   0.216  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        4.627   3.336   1.141  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1        3.291   3.575   0.567  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        3.399   4.113  -0.294  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        2.689   2.265   0.229  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1        3.136  -0.928   1.220  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        3.736  -2.132   1.915  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        4.609  -0.987   1.548  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   1  30
ATOM     30  C   LIG    1       -2.799   1.367  -2.029  0.00  0.00    +0.146 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.413   0.433  -3.066  0.00  0.00    +0.051 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -4.882   0.126  -2.796  0.00  0.00    +0.161 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -6.740  -1.001  -3.703  0.00  0.00    +0.193 C 
ATOM     34  O   LIG    1       -5.380  -0.634  -3.898  0.00  0.00    -0.383 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 9