REMARK  Name = BDB008592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.560  -0.166   0.195  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.587  -1.135   0.146  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        3.193  -2.229  -0.459  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        2.440  -3.396  -0.639  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1        1.103  -3.442  -0.226  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.486  -2.328   0.365  0.00  0.00    -0.023 A 
ATOM      7  F   LIG    1        2.982  -4.478  -1.215  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        4.516  -1.807  -0.743  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        5.595  -2.590  -1.392  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        1.248  -1.157   0.567  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.732  -0.544  -0.352  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.975  -2.329   0.818  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -1.659  -3.705   0.875  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -1.797  -1.340   0.069  0.00  0.00    -0.289 N 
ATOM     15  C   LIG    1       -2.096  -0.125   0.711  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -1.569   0.185   1.785  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.141   0.807   0.058  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1       -2.944   2.168   0.485  0.00  0.00    -0.365 OA
ATOM     19  C   LIG    1       -3.956   3.032  -0.044  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1       -5.361   2.567   0.362  0.00  0.00    +0.109 C 
ATOM     21  N   LIG    1       -5.630   1.181  -0.064  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -5.612   1.145  -1.083  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.549   0.320   0.464  0.00  0.00    +0.122 C 
ENDBRANCH  15  17
BRANCH  14  24
ATOM     24  C   LIG    1       -2.367  -1.735  -1.204  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -1.563  -2.361  -2.318  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -2.086  -0.973  -2.478  0.00  0.00    +0.024 C 
ENDBRANCH  14  24
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  27
ATOM     27  C   LIG    1        3.428   1.165   0.764  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.802   2.147  -0.223  0.00  0.00    +0.051 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.456   3.470   0.448  0.00  0.00    +0.161 C 
BRANCH  29  31
ATOM     30  C   LIG    1        3.375   5.291   1.626  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        3.639   4.044   0.995  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8