REMARK  Name = BDB009587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.055  -0.901   0.501  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -2.225   0.536   0.034  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -3.306   1.118   0.109  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.057   1.140  -0.444  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.227   0.401  -0.372  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        0.091  -1.087  -0.852  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -1.311  -1.673  -0.587  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.372   1.073  -1.134  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        1.291   1.313  -2.518  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        2.357   1.901  -3.203  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.515   2.249  -2.513  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        4.828   2.972  -3.357  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.618   2.014  -1.144  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.552   1.427  -0.458  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        1.212  -1.955  -0.280  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.344  -2.227  -1.069  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.397  -2.991  -0.564  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.774  -3.302  -1.547  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        3.343  -3.499   0.731  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.228  -3.238   1.525  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.173  -2.469   1.026  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -3.411  -1.543   0.824  0.00  0.00    +0.108 C 
BRANCH  22  26
ATOM     23  N   LIG    1       -4.440  -3.418   1.947  0.00  0.00    -0.329 N 
ATOM     24  H   LIG    1       -4.413  -4.193   2.599  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.340  -3.016   1.721  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -3.270  -2.757   1.715  0.00  0.00    +0.211 C 
ATOM     27  O   LIG    1       -2.217  -3.143   2.207  0.00  0.00    -0.276 OA
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   4  28
ATOM     28  C   LIG    1       -1.069   2.606  -0.500  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.598   3.204   0.796  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -1.520   3.327   1.983  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -1.100   4.558   1.229  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 6