REMARK  Name = BDB045792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.565  -2.290  -1.497  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.851  -2.274  -1.560  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -1.508  -3.347  -2.175  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.779  -4.400  -2.733  0.00  0.00    +0.043 A 
ATOM      5 CL   LIG    1       -1.604  -5.707  -3.492  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        0.612  -4.399  -2.699  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        1.287  -3.343  -2.086  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        2.452  -1.558  -0.140  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.625  -2.551  -0.046  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        1.307  -1.179  -0.820  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        0.828  -0.050  -0.863  0.00  0.00    -0.270 OA
BRANCH   8  14
ATOM     12  C   LIG    1        4.242   1.434   1.242  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1        3.295   0.676   0.534  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        3.357  -0.720   0.547  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        4.383  -1.349   1.266  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.327  -0.600   1.972  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        5.256   0.791   1.961  0.00  0.00    +0.015 A 
BRANCH  12  19
ATOM     18  O   LIG    1        5.003   3.636   1.841  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        4.214   2.917   1.256  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.201   3.433   0.539  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        3.308   4.402   0.639  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   8  14
ENDBRANCH   1  10
BRANCH   2  22
ATOM     22  N   LIG    1       -1.552  -1.166  -1.020  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -0.950  -0.412  -0.687  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -2.915  -0.994  -0.888  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1       -3.775  -1.837  -1.115  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.344   0.343  -0.375  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -2.608   1.510  -0.613  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -3.056   2.738  -0.112  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -4.253   2.821   0.617  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1       -4.989   1.649   0.845  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -4.543   0.422   0.346  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -4.722   4.144   1.175  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1       -4.347   5.208   0.411  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -6.076   4.227   1.289  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -4.225   4.384   2.420  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 7