REMARK  Name = BDB014345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.788  -1.569   1.505  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -2.111  -0.259   1.066  0.00  0.00    +0.096 A 
ATOM      3  C   LIG    1       -0.948   0.513   1.053  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.042   1.852   0.667  0.00  0.00    +0.100 A 
ATOM      5  N   LIG    1       -2.251   2.331   0.295  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1       -3.311   1.494   0.339  0.00  0.00    +0.200 A 
ATOM      7  N   LIG    1        0.076  -0.330   1.442  0.00  0.00    -0.343 N 
ATOM      8  N   LIG    1       -3.323   0.213   0.712  0.00  0.00    -0.223 NA
ATOM      9  C   LIG    1       -0.432  -1.571   1.753  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.601   2.088  -0.077  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -4.638   3.379  -0.448  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -3.867   4.025  -0.478  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1       -5.907   3.656  -0.770  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1       -6.329   4.735  -1.155  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1       -6.658   2.520  -0.595  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1       -5.755   1.506  -0.136  0.00  0.00    -0.051 NA
ENDBRANCH   6  10
BRANCH   4  17
ATOM     17  C   LIG    1        0.051   2.806   0.625  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.649   3.182  -0.585  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        1.693   4.101  -0.586  0.00  0.00    +0.060 A 
ATOM     20 CL   LIG    1        2.459   4.548  -2.055  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        2.105   4.635   0.624  0.00  0.00    +0.130 A 
ATOM     22  N   LIG    1        1.544   4.314   1.814  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1        0.524   3.424   1.783  0.00  0.00    +0.120 A 
ENDBRANCH   4  17
BRANCH   1  24
ATOM     24  C   LIG    1       -2.736  -2.715   1.672  0.00  0.00    +0.041 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.285  -4.370   0.586  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -3.153  -3.370   0.342  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1       -1.979  -4.076  -0.343  0.00  0.00    +0.007 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
BRANCH   7  28
ATOM     28  C   LIG    1        1.498  -0.027   1.535  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.229  -0.066   0.181  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        2.363  -1.498  -0.362  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        3.145  -1.534  -1.675  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        4.523  -0.876  -1.537  0.00  0.00    -0.014 C 
ATOM     33  C   LIG    1        5.258  -0.877  -2.876  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        4.391   0.551  -0.993  0.00  0.00    +0.003 C 
ATOM     35  C   LIG    1        3.616   0.581   0.322  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 6