REMARK  Name = BDB060063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.525   0.102   0.858  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        2.210   1.051  -0.126  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.100   0.868  -0.959  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        0.728   2.327  -2.418  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        0.281  -0.258  -0.807  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        0.618  -1.228   0.147  0.00  0.00    +0.061 A 
ATOM      7 BR   LIG    1       -0.387  -2.826   0.352  0.00  0.00    -0.046 Br
ATOM      8  C   LIG    1        1.727  -1.044   0.979  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        3.736   0.290   1.744  0.00  0.00    +0.155 C 
BRANCH   9  11
ATOM     10  O   LIG    1        5.153  -0.872   0.107  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1        5.004  -0.293   1.169  0.00  0.00    +0.309 C 
BRANCH  11  12
ATOM     12  O   LIG    1        6.058  -0.107   1.992  0.00  0.00    -0.480 OA
ATOM     13  H   LIG    1        6.808  -0.523   1.514  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   5  14
ATOM     14  O   LIG    1       -0.794  -0.448  -1.641  0.00  0.00    -0.454 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.047  -0.086  -1.185  0.00  0.00    +0.131 A 
ATOM     16  C   LIG    1       -3.107  -0.509  -1.992  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1       -4.423  -0.201  -1.640  0.00  0.00    +0.059 A 
ATOM     18  I   LIG    1       -5.965  -0.867  -2.885  0.00  0.00    -0.040 I 
ATOM     19  C   LIG    1       -4.689   0.535  -0.481  0.00  0.00    +0.143 A 
ATOM     20  C   LIG    1       -3.626   0.963   0.321  0.00  0.00    +0.059 A 
ATOM     21  I   LIG    1       -3.938   2.075   2.069  0.00  0.00    -0.040 I 
ATOM     22  C   LIG    1       -2.307   0.656  -0.029  0.00  0.00    +0.064 A 
BRANCH  19  23
ATOM     23  O   LIG    1       -5.973   0.846  -0.120  0.00  0.00    -0.505 OA
ATOM     24  H   LIG    1       -6.573   0.469  -0.789  0.00  0.00    +0.292 HD
ENDBRANCH  19  23
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 6