REMARK  Name = BDB011260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.338  -0.729  -0.635  0.00  0.00    +0.054 A 
ATOM      2  N   LIG    1       -1.668   0.247   0.108  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1       -0.336  -0.035   0.021  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        0.925   0.554   0.529  0.00  0.00    +0.154 C 
ATOM      5  N   LIG    1        1.880  -0.430  -0.045  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        1.264  -1.457  -0.778  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1        1.780  -2.412  -1.333  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.140  -1.161  -0.721  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -1.384  -1.611  -1.151  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.190   1.968   0.051  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1        1.248   2.287  -1.318  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.488   3.597  -1.738  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.673   4.602  -0.793  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        1.964   6.218  -1.308  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        1.624   4.308   0.567  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        1.385   2.997   0.988  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   1  18
ATOM     17  C   LIG    1       -4.620  -1.537   0.021  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1       -3.785  -0.807  -0.839  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -4.350  -0.197  -1.967  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -5.725  -0.274  -2.204  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.549  -0.967  -1.318  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.999  -1.596  -0.202  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -3.961  -3.541   0.929  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -4.106  -2.137   1.144  0.00  0.00    -0.494 OA
ENDBRANCH  17  24
ENDBRANCH   1  18
BRANCH   5  25
ATOM     25  C   LIG    1        3.305  -0.392   0.278  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1        4.190  -0.283  -0.980  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1        5.036  -1.530  -1.230  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        5.901  -1.892  -0.021  0.00  0.00    +0.115 C 
ATOM     29  C   LIG    1        5.217  -1.649   1.327  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1        3.702  -1.556   1.199  0.00  0.00    +0.025 C 
BRANCH  28  31
ATOM     31  O   LIG    1        7.096  -1.112  -0.067  0.00  0.00    -0.392 OA
ATOM     32  H   LIG    1        7.689  -1.449   0.627  0.00  0.00    +0.210 HD
ENDBRANCH  28  31
ENDBRANCH   5  25
BRANCH   2  33
ATOM     33  C   LIG    1       -2.218   1.392   0.833  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -3.232   1.025   1.915  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -2.746   2.480  -0.100  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 6