REMARK  Name = BDB006672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.043  -1.579   1.223  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.390  -0.288   0.905  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.029  -0.008   0.739  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.676  -0.590   0.771  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.171   0.620   0.469  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.641   1.782   0.273  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.317   2.929   0.020  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.966   1.321   0.455  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.222   1.792   0.437  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -4.128   0.827   0.726  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.567   0.571   0.452  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.257  -0.555   0.739  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.648  -0.556   0.700  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.409   0.554   0.387  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.685   0.242   0.443  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.781  -1.085   0.790  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.727   1.770   0.074  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.465   3.033  -0.290  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.561  -1.561   0.939  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.200  -2.949   1.300  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.371   1.755   0.110  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.664  -1.676  -0.288  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.787  -3.022   0.107  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.780  -4.049  -0.839  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.652  -3.744  -2.192  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.642  -5.010  -3.355  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.533  -2.421  -2.606  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.541  -1.392  -1.660  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1       -3.602   3.191   0.170  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -3.411   3.828  -1.187  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -4.796   3.553  -0.682  0.00  0.00    +0.029 C 
ENDBRANCH   9  29
TORSDOF 3