REMARK  Name = BDB006725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.328   1.253  -0.988  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.509   0.117  -0.507  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.115   0.004  -0.435  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.842   0.696  -0.713  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.155  -0.343  -0.288  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.498  -1.515   0.214  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.012  -2.551   0.635  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.878  -1.232   0.083  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.066  -1.810   0.312  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -4.098  -1.003  -0.040  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.536  -0.178  -0.402  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.430  -1.056   0.096  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.794  -0.824  -0.040  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.323   0.284  -0.675  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.636   0.225  -0.643  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.991  -0.927   0.018  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.418   1.242  -1.228  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        3.900   2.476  -1.947  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.887  -1.552   0.378  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.801  -2.833   1.113  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.090   1.002  -1.089  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.870   1.970   0.101  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -0.683   1.988   1.492  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1       -0.470   0.847   2.162  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -0.718   3.173   2.219  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -0.948   4.366   1.552  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1       -0.985   5.513   2.242  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -1.144   4.390   0.176  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -1.108   3.197  -0.549  0.00  0.00    +0.011 A 
ENDBRANCH   4  22
BRANCH   9  30
ATOM     30  C   LIG    1       -3.262  -3.151   0.892  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -2.864  -4.409   0.155  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -4.315  -4.106   0.379  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
TORSDOF 3