REMARK  Name = BDB009613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.396  -0.947   1.371  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        2.345  -0.477  -0.096  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        1.413  -1.413  -0.878  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        1.878  -2.274  -1.624  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.043  -1.291  -0.641  0.00  0.00    -0.290 N 
ATOM      6  C   LIG    1       -0.501  -0.120   0.087  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        0.330   1.180  -0.124  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        1.852   0.970  -0.228  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.963   0.179  -0.279  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.358   0.360  -1.617  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.687   0.652  -1.933  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.630   0.772  -0.916  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.266   1.134  -1.306  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.257   0.602   0.415  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.929   0.307   0.734  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.012   2.255   0.908  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.685   3.419   0.503  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -1.027   4.400   1.435  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -1.858   5.816   0.919  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -0.704   4.240   2.779  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.035   3.091   3.195  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.307   2.104   2.268  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1       -0.873  -2.469  -0.858  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -0.355  -3.880  -0.484  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -1.103  -4.403  -1.730  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -1.019  -2.975  -2.311  0.00  0.00    +0.022 C 
ENDBRANCH   5  23
BRANCH   2  27
ATOM     27  C   LIG    1        3.768  -0.609  -0.707  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.793   0.294  -0.081  0.00  0.00    +0.306 C 
ATOM     29  O   LIG    1        4.972   1.471  -0.342  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.526  -0.319   0.866  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        6.154   0.371   1.169  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 6