REMARK  Name = BDB012570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.128  -1.351  -0.390  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        1.792  -0.940  -0.336  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        0.493  -1.383   0.078  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -0.403  -0.319  -0.248  0.00  0.00    -0.237 N 
ATOM      5  C   LIG    1        0.329   0.854  -0.839  0.00  0.00    +0.161 C 
ATOM      6  O   LIG    1        0.284  -2.472   0.588  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.699   0.313  -0.860  0.00  0.00    +0.058 A 
ATOM      8  N   LIG    1        2.928   0.728  -1.249  0.00  0.00    -0.349 N 
ATOM      9  C   LIG    1        3.278   1.997  -1.839  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1        3.816  -0.293  -0.966  0.00  0.00    +0.109 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.776  -0.430  -0.108  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1       -2.263  -1.466   0.500  0.00  0.00    -0.148 NA
ATOM     13  N   LIG    1       -3.616  -1.480   0.596  0.00  0.00    -0.190 N 
ATOM     14  C   LIG    1       -4.497  -0.540   0.112  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1       -5.729  -0.915   0.380  0.00  0.00    -0.127 NA
ATOM     16  N   LIG    1       -5.664  -2.112   1.058  0.00  0.00    -0.126 NA
ATOM     17  C   LIG    1       -3.967   0.594  -0.559  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -4.843   1.682  -1.123  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -4.391  -2.440   1.188  0.00  0.00    +0.221 A 
ATOM     20  C   LIG    1       -2.626   0.665  -0.679  0.00  0.00    +0.053 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -3.791  -3.611   1.853  0.00  0.00    +0.410 C 
ATOM     22  F   LIG    1       -4.624  -4.690   1.816  0.00  0.00    -0.200 F 
ATOM     23  F   LIG    1       -3.563  -3.361   3.173  0.00  0.00    -0.200 F 
ENDBRANCH  19  21
ENDBRANCH   4  11
BRANCH   5  24
ATOM     24  C   LIG    1        0.217   2.123  -0.009  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1        0.299   2.103   1.395  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        0.204   3.286   2.132  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.035   4.501   1.475  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -0.081   5.957   2.382  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.038   4.545   0.085  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        0.057   3.363  -0.654  0.00  0.00    +0.007 A 
ENDBRANCH   5  24
BRANCH   1  33
ATOM     31  C   LIG    1        5.144  -4.346   0.571  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        4.935  -2.967  -0.005  0.00  0.00    +0.214 C 
ATOM     33  N   LIG    1        3.615  -2.565   0.050  0.00  0.00    -0.284 N 
ATOM     34  H   LIG    1        2.925  -3.194   0.450  0.00  0.00    +0.155 HD
ATOM     35  O   LIG    1        5.883  -2.317  -0.436  0.00  0.00    -0.276 OA
ENDBRANCH   1  33
TORSDOF 4