REMARK  Name = BDB004498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.088  -0.675   0.703  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.765   0.032  -0.238  0.00  0.00    +0.191 C 
ATOM      3  C   LIG    1       -1.700  -1.048  -0.711  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.384  -2.247  -0.066  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.062  -3.435  -0.286  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -3.107  -3.411  -1.207  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -3.434  -2.219  -1.871  0.00  0.00    +0.142 A 
ATOM      8  F   LIG    1       -4.445  -2.246  -2.753  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -2.734  -1.029  -1.633  0.00  0.00    +0.085 A 
ATOM     10 CL   LIG    1       -3.167   0.399  -2.487  0.00  0.00    -0.080 Cl
ATOM     11  C   LIG    1       -0.253  -2.006   0.833  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1        0.253  -2.851   1.544  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1       -1.468   1.228   0.394  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.351   2.518  -0.157  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.995   3.613   0.426  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -2.765   3.434   1.571  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -3.556   4.782   2.290  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -2.898   2.170   2.138  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.256   1.074   1.554  0.00  0.00    +0.010 A 
ENDBRANCH   2  13
BRANCH   2  20
ATOM     20  O   LIG    1        0.046   0.398  -1.335  0.00  0.00    -0.364 OA
ATOM     21  H   LIG    1        0.823  -0.182  -1.275  0.00  0.00    +0.213 HD
ENDBRANCH   2  20
BRANCH   1  22
ATOM     22  C   LIG    1        1.142  -0.045   1.481  0.00  0.00    +0.146 C 
BRANCH  22  26
ATOM     23  C   LIG    1        4.850   0.180  -0.756  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        4.065   1.322  -0.556  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        2.871   1.256   0.170  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        2.442   0.040   0.719  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        3.227  -1.105   0.526  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        4.421  -1.033  -0.200  0.00  0.00    +0.031 A 
BRANCH  23  30
ATOM     29  O   LIG    1        6.358  -0.718  -2.074  0.00  0.00    -0.143 OA
ATOM     30  N   LIG    1        6.027   0.308  -1.467  0.00  0.00    -0.031 NA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5