REMARK  Name = BDB005279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.117   1.043  -0.605  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -1.461   0.003   0.062  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -0.158   0.388   0.128  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.132  -0.104   0.646  0.00  0.00    +0.161 C 
ATOM      5  N   LIG    1        2.019   1.009   0.186  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        1.300   2.068  -0.434  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        1.691   3.159  -0.814  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.064   1.597  -0.478  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.262   2.004  -0.953  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.411   1.042   0.487  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.382   1.549  -0.405  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1        4.091   2.003  -1.812  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        5.734   1.597  -0.004  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        6.139   1.102   1.233  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.193   0.553   2.083  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        5.677  -0.081   3.609  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.846   0.519   1.718  0.00  0.00    +0.043 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.541  -1.455   0.087  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        1.695  -1.665  -1.296  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.064  -2.917  -1.791  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.286  -3.971  -0.910  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        2.738  -5.515  -1.519  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        2.143  -3.784   0.463  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        1.773  -2.532   0.960  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.523   1.510  -0.066  0.00  0.00    +0.228 A 
ATOM     26  C   LIG    1       -3.532   1.093  -0.937  0.00  0.00    +0.097 A 
ATOM     27  C   LIG    1       -3.974   0.792  -2.209  0.00  0.00    +0.129 A 
ATOM     28  N   LIG    1       -5.270   0.821  -2.587  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1       -6.139   1.210  -1.644  0.00  0.00    +0.225 A 
ATOM     30  N   LIG    1       -5.835   1.557  -0.386  0.00  0.00    -0.201 NA
BRANCH  25  32
ATOM     31  C   LIG    1       -5.183   2.466   1.974  0.00  0.00    +0.279 C 
ATOM     32  O   LIG    1       -4.141   1.856   1.219  0.00  0.00    -0.479 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.978  -1.278   0.532  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1       -3.049  -1.163   1.614  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -2.419  -2.189  -0.612  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 5