REMARK  Name = BDB063645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.669   0.153  -0.463  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.216   0.624   0.488  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.231   1.071   1.282  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.385  -0.212  -1.596  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.581   0.624   0.429  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.460  -0.225  -0.447  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -2.078  -1.188  -1.091  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.783   0.202  -0.200  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1       -3.770   1.127   0.885  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -4.650   2.287   0.679  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -2.421   1.336   1.203  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.049   2.305   2.281  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.898  -0.654  -0.402  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -5.068  -1.333  -1.616  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1       -4.235  -1.120  -2.645  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1       -6.154  -2.182  -1.826  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -7.100  -2.364  -0.820  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -6.959  -1.687   0.390  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.869  -0.834   0.596  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1        3.303  -0.953  -1.990  0.00  0.00    +0.050 C 
ATOM     21  C   LIG    1        3.237  -0.265  -0.679  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        4.266   0.054   0.182  0.00  0.00    +0.172 A 
ATOM     23  O   LIG    1        3.760   0.679   1.279  0.00  0.00    -0.354 OA
ATOM     24  N   LIG    1        2.388   0.779   1.170  0.00  0.00    -0.073 NA
ATOM     25  C   LIG    1        2.068   0.211  -0.008  0.00  0.00    +0.171 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.713  -0.085   0.152  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        6.436  -0.769   1.147  0.00  0.00    +0.053 A 
ATOM     28 CL   LIG    1        5.657  -1.552   2.480  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        7.830  -0.867   1.075  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        8.510  -0.287   0.009  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1       10.223  -0.408  -0.080  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        7.814   0.389  -0.989  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        6.421   0.488  -0.918  0.00  0.00    +0.014 A 
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 4