REMARK  Name = BDB008276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.049  -0.064  -0.298  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.108  -0.552   0.524  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.149  -0.079   0.428  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.512   0.897  -0.482  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.535   1.413  -1.339  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -0.768   0.914  -1.240  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.866   2.449  -2.327  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1        1.054   3.798  -1.973  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        0.952   4.286  -0.558  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        1.372   4.695  -2.991  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.497   4.362  -4.295  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1        1.312   3.066  -4.606  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        1.000   2.090  -3.675  0.00  0.00    +0.028 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.835  -1.526   0.611  0.00  0.00    +0.235 C 
ATOM     15  N   LIG    1       -2.361  -0.529  -0.223  0.00  0.00    -0.269 N 
ATOM     16  H   LIG    1       -3.050  -0.178  -0.881  0.00  0.00    +0.156 HD
ATOM     17  O   LIG    1       -2.192  -2.162   1.440  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -4.366  -1.717   0.430  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -4.779  -3.130   0.836  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -6.154  -1.123  -1.128  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -4.729  -1.399  -0.980  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -4.487  -2.205  -1.562  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  N   LIG    1        2.013  -0.679   1.342  0.00  0.00    -0.265 N 
ATOM     24  H   LIG    1        1.538  -1.403   1.866  0.00  0.00    +0.157 HD
ATOM     25  C   LIG    1        3.358  -0.445   1.530  0.00  0.00    +0.268 C 
ATOM     26  O   LIG    1        4.043   0.348   0.895  0.00  0.00    -0.268 OA
BRANCH  25  27
ATOM     27  C   LIG    1        3.986  -1.260   2.623  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        5.234  -1.734   2.372  0.00  0.00    -0.249 NA
ATOM     29  C   LIG    1        5.821  -2.466   3.349  0.00  0.00    +0.131 A 
ATOM     30  C   LIG    1        5.221  -2.748   4.567  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1        6.031  -3.684   5.755  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        3.945  -2.249   4.808  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        3.312  -1.489   3.823  0.00  0.00    +0.034 A 
ENDBRANCH  25  27
ENDBRANCH   3  23
TORSDOF 6