REMARK  Name = BDB006651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.655   1.804   1.372  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.389   2.211   0.719  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.203   1.483   0.569  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.540   0.201   0.869  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.821   0.428   0.261  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.908   1.720  -0.345  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -1.835   2.249  -0.932  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.358   2.305  -0.109  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        1.011   3.454  -0.345  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        2.274   3.428   0.147  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.850  -0.514   0.360  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.713  -1.668   1.046  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -2.725  -2.609   1.152  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -2.465  -3.822   1.912  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -3.973  -2.438   0.560  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -4.893  -3.248   0.639  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.149  -1.171  -0.212  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.476  -0.965  -0.871  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.135  -0.293  -0.286  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        1.384  -0.868   0.203  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        1.320  -1.131  -1.176  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.117  -2.123  -1.754  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        3.006  -2.872  -0.971  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        3.070  -2.617   0.406  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        2.273  -1.626   0.984  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.852  -3.958  -1.590  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        5.071  -4.082  -0.995  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        3.265  -5.183  -1.498  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.102  -3.759  -2.913  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH   4  20
BRANCH   9  30
ATOM     30  C   LIG    1        0.460   4.614  -1.067  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -0.670   5.445  -0.505  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1        0.704   6.035  -0.617  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
TORSDOF 4