REMARK  Name = BDB063646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.672  -0.195  -0.469  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.169  -0.570   0.563  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.315  -0.889   1.395  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.342  -0.010  -1.633  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.533  -0.639   0.538  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.466   0.064  -0.408  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -2.139   0.964  -1.165  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.763  -0.388  -0.083  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1       -3.688  -1.179   1.103  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -4.515  -2.394   1.051  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -2.325  -1.289   1.411  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -1.888  -2.107   2.585  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.920   0.389  -0.356  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -5.142   0.914  -1.636  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1       -4.317   0.623  -2.652  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1       -6.270   1.685  -1.918  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -7.206   1.939  -0.918  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -7.014   1.412   0.357  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.882   0.638   0.636  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1        3.228   0.707  -2.242  0.00  0.00    +0.050 C 
ATOM     21  C   LIG    1        3.216   0.265  -0.827  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        4.275   0.139   0.047  0.00  0.00    +0.172 A 
ATOM     23  O   LIG    1        3.813  -0.267   1.260  0.00  0.00    -0.354 OA
ATOM     24  N   LIG    1        2.445  -0.438   1.208  0.00  0.00    -0.073 NA
ATOM     25  C   LIG    1        2.081  -0.120  -0.049  0.00  0.00    +0.171 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.712   0.347  -0.025  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.545  -0.381  -0.892  0.00  0.00    +0.052 A 
ATOM     28 CL   LIG    1        5.942  -1.631  -1.924  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        7.922  -0.130  -0.927  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        8.481   0.843  -0.097  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        7.663   1.560   0.770  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1        8.350   2.756   1.798  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        6.290   1.317   0.811  0.00  0.00    +0.033 A 
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 4