REMARK  Name = BDB063560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.332  -3.958   1.521  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.327  -2.569   0.972  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.106  -1.792   0.685  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -0.133  -2.258   0.896  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        1.616  -0.490   0.178  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        0.952   0.479  -0.138  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.012  -0.672   0.204  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.417  -1.912   0.690  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -1.321  -1.558   0.579  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1       -2.379  -1.648   1.452  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -2.374  -2.150   2.330  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.444  -0.925   0.976  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -3.094  -0.380  -0.246  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -1.744  -0.781  -0.480  0.00  0.00    +0.038 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.911   0.451  -1.128  0.00  0.00    +0.196 C 
ATOM     16  O   LIG    1       -3.487   0.937  -2.173  0.00  0.00    -0.287 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.291   0.772  -0.727  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.327  -0.163  -0.811  0.00  0.00    +0.052 A 
ATOM     19 CL   LIG    1       -6.088  -1.768  -1.399  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -7.618   0.207  -0.421  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -7.872   1.503   0.036  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -6.839   2.438   0.100  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.548   2.077  -0.286  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   4   9
BRANCH   7  24
ATOM     24  C   LIG    1        4.014   0.256  -0.180  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        3.699   1.523  -0.691  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        4.707   2.423  -1.063  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        6.048   2.071  -0.917  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        6.386   0.806  -0.432  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        5.374  -0.088  -0.065  0.00  0.00    +0.026 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.088   3.046  -1.314  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        7.006   3.745  -2.308  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.111   3.108  -0.435  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        7.957   2.622   0.397  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH   7  24
TORSDOF 6