REMARK  Name = BDB004825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.098  -0.795  -0.263  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.262  -0.781  -0.650  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.747  -1.955  -1.249  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.073  -1.953  -1.699  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        3.921  -0.850  -1.556  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        3.458   0.285  -0.911  0.00  0.00    +0.122 A 
ATOM      7  N   LIG    1        0.967  -3.040  -1.394  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -0.295  -2.953  -0.971  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.137   0.326  -0.471  0.00  0.00    +0.059 A 
ATOM     10  N   LIG    1       -0.858  -1.888  -0.403  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        3.632  -3.141  -2.371  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.071  -3.078  -3.517  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        3.616  -4.315  -1.643  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.050  -4.407  -0.803  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.855  -5.163  -2.141  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.661   0.347   0.330  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.415   1.156  -0.232  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.111   0.407   0.642  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.896   0.691  -0.635  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -3.417  -0.325  -1.453  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -4.095  -0.007  -2.627  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -4.606  -0.994  -3.376  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.268   1.313  -3.022  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -3.768   2.337  -2.217  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.084   2.029  -1.036  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.606  -0.737   1.589  0.00  0.00    +0.110 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.966  -1.515   3.426  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -3.746  -0.403   2.493  0.00  0.00    -0.306 NA
ATOM     29  C   LIG    1       -4.983  -0.131   1.755  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   6  30
ATOM     30  O   LIG    1        4.374   1.292  -0.770  0.00  0.00    -0.489 OA
BRANCH  30  31
ATOM     31  C   LIG    1        4.094   2.387   0.123  0.00  0.00    +0.173 C 
ATOM     32  C   LIG    1        5.310   3.304   0.416  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1        4.784   3.440   1.853  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        4.074   2.091   1.643  0.00  0.00    +0.044 C 
ENDBRANCH  30  31
ENDBRANCH   6  30
TORSDOF 8