REMARK  Name = BDB013367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.157  -1.185  -0.403  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.563   0.074   0.111  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.842   0.394  -0.501  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.720  -0.826  -0.826  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.135  -2.194  -0.464  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.264  -2.500   1.041  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.349  -2.240  -0.840  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.821  -3.220  -1.420  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        1.617   1.422   0.324  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1        2.058   1.147   1.629  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.753   2.114   2.364  0.00  0.00    +0.044 A 
ATOM     12 CL   LIG    1        3.275   1.750   3.962  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        3.022   3.363   1.818  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1        2.589   3.636   0.528  0.00  0.00    +0.125 A 
ATOM     15  F   LIG    1        2.840   4.837  -0.009  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        1.895   2.687  -0.218  0.00  0.00    +0.042 A 
ENDBRANCH   3   9
BRANCH   2  17
ATOM     17  C   LIG    1       -1.438   1.316  -0.102  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -1.873   1.698  -1.383  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -2.620   2.864  -1.566  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.929   3.667  -0.472  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -3.848   5.104  -0.698  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -2.494   3.318   0.803  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.747   2.151   0.988  0.00  0.00    +0.007 A 
ENDBRANCH   2  17
BRANCH   1  25
ATOM     24  C   LIG    1       -3.479  -1.265  -1.363  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1       -2.579  -1.556  -0.163  0.00  0.00    +0.071 C 
ATOM     26  C   LIG    1       -3.190  -1.047   1.143  0.00  0.00    +0.028 C 
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1        1.861  -3.310  -1.262  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.347  -3.361  -1.039  0.00  0.00    +0.306 C 
ATOM     29  O   LIG    1        4.181  -2.655  -1.580  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        3.710  -4.273  -0.120  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        4.688  -4.207  -0.086  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6