REMARK  Name = BDB022187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.695  -0.040   2.757  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.627  -0.776   1.470  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.765  -0.544   0.370  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.686   0.450   0.128  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1        0.208   0.066  -1.084  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1       -0.417  -0.919  -2.111  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -1.514  -1.668  -1.769  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.827  -2.362  -2.437  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        0.142  -1.145  -3.190  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -2.109  -1.497  -0.550  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1       -3.143  -2.208  -0.015  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1       -3.862  -3.314  -0.596  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1       -3.464  -1.796   1.229  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.389   1.791  -0.065  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -1.051   2.862   0.783  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -1.660   4.105   0.629  0.00  0.00    +0.159 A 
ATOM     17  F   LIG    1       -1.326   5.107   1.455  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -2.602   4.306  -0.369  0.00  0.00    +0.158 A 
ATOM     19  F   LIG    1       -3.187   5.503  -0.516  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1       -2.944   3.270  -1.229  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -2.338   2.019  -1.083  0.00  0.00    +0.007 A 
ENDBRANCH   4  14
BRANCH   5  22
ATOM     22  N   LIG    1        1.498  -0.541  -0.700  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        1.853  -1.246  -1.338  0.00  0.00    +0.150 HD
ATOM     24  C   LIG    1        2.437   0.199  -0.012  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1        2.206   1.313   0.444  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.789  -0.409   0.132  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        3.988  -1.796   0.101  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        5.276  -2.321   0.247  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        6.361  -1.464   0.430  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        7.942  -2.116   0.610  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        6.170  -0.085   0.477  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        4.884   0.443   0.332  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH   5  22
TORSDOF 3