REMARK  Name = BDB052207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.010  -2.350  -0.648  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1        0.935  -0.956  -0.793  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -0.261  -0.349  -0.439  0.00  0.00    +0.152 A 
ATOM      4  O   LIG    1       -0.545   0.998  -0.523  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1       -1.891   1.152  -0.199  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -2.481  -0.132   0.364  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1       -2.703  -0.041   1.875  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.776  -0.338  -0.421  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1       -4.080  -1.398  -0.973  0.00  0.00    -0.295 OA
ATOM     10  C   LIG    1       -4.723   0.844  -0.511  0.00  0.00    +0.192 C 
ATOM     11  C   LIG    1       -4.049   2.192  -0.400  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1       -4.683   3.242  -0.315  0.00  0.00    -0.291 OA
ATOM     13  C   LIG    1       -2.575   2.256  -0.511  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1       -1.355  -1.076   0.051  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -1.251  -2.440   0.235  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1       -0.068  -3.086  -0.117  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1        2.071  -0.169  -1.332  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1        2.325   1.026  -0.695  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.808   1.266   0.141  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        2.721  -0.579  -2.287  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.479   1.832  -1.017  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.612   1.554  -0.064  0.00  0.00    -0.012 A 
ATOM     23  C   LIG    1        4.724   2.177   1.189  0.00  0.00    +0.046 A 
ATOM     24 CL   LIG    1        3.554   3.322   1.744  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.788   1.872   2.043  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.746   0.932   1.665  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.637   0.290   0.434  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.577   0.595  -0.421  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  17
BRANCH  10  29
ATOM     29  C   LIG    1       -5.884   0.713   0.440  0.00  0.00    +0.148 C 
ATOM     30  O   LIG    1       -5.735   0.301   1.591  0.00  0.00    -0.296 OA
ATOM     31  C   LIG    1       -7.240   1.135  -0.064  0.00  0.00    +0.087 C 
ENDBRANCH  10  29
BRANCH   1  33
ATOM     32  C   LIG    1        2.118  -3.670  -2.173  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        2.178  -3.025  -0.899  0.00  0.00    -0.494 OA
ENDBRANCH   1  33
BRANCH  15  34
ATOM     34  O   LIG    1       -2.291  -3.113   0.790  0.00  0.00    -0.506 OA
ATOM     35  H   LIG    1       -2.141  -4.069   0.704  0.00  0.00    +0.292 HD
ENDBRANCH  15  34
TORSDOF 6