REMARK  Name = BDB058535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.426  -3.580  -0.285  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1        1.746  -2.288  -0.247  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        2.121  -1.506   0.935  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        1.575  -0.054   0.854  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        0.243   0.038   0.078  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -0.544  -1.269   0.209  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        0.284  -2.452  -0.361  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.577   0.952   0.304  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        3.286   0.710  -0.884  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        4.204   1.647  -1.401  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        4.397   2.845  -0.707  0.00  0.00    +0.053 A 
ATOM     12 CL   LIG    1        5.499   4.056  -1.253  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        3.689   3.102   0.470  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        2.784   2.165   0.970  0.00  0.00    +0.005 A 
BRANCH  10  15
ATOM     15  C   LIG    1        4.949   1.347  -2.674  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1        4.629   0.133  -3.211  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        4.704   2.250  -3.663  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        6.300   1.317  -2.507  0.00  0.00    -0.166 F 
ENDBRANCH  10  15
ENDBRANCH   4   8
BRANCH   6  19
ATOM     19  N   LIG    1       -1.832  -1.183  -0.495  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -1.661  -0.784  -1.420  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.862  -0.453   0.056  0.00  0.00    +0.199 A 
ATOM     22  N   LIG    1       -3.551  -0.947   1.171  0.00  0.00    -0.282 N 
ATOM     23  C   LIG    1       -3.309  -2.279   1.694  0.00  0.00    +0.155 C 
ATOM     24  C   LIG    1       -4.551  -0.206   1.806  0.00  0.00    +0.279 A 
ATOM     25  O   LIG    1       -5.151  -0.562   2.816  0.00  0.00    -0.265 OA
ATOM     26  C   LIG    1       -4.805   1.028   1.148  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -4.133   1.429   0.035  0.00  0.00    +0.097 A 
ATOM     28  C   LIG    1       -4.620   2.679  -0.372  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -5.612   3.017   0.532  0.00  0.00    +0.085 A 
ATOM     30  N   LIG    1       -5.716   2.000   1.456  0.00  0.00    -0.355 N 
ATOM     31  H   LIG    1       -6.359   1.964   2.238  0.00  0.00    +0.166 HD
ATOM     32  N   LIG    1       -3.120   0.681  -0.549  0.00  0.00    -0.214 NA
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4