REMARK  Name = BDB006636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.662  -0.986  -0.705  0.00  0.00    +0.045 A 
ATOM      2  N   LIG    1       -3.614  -1.075   0.300  0.00  0.00    -0.265 N 
ATOM      3  N   LIG    1       -3.115  -0.855   1.545  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1       -1.829  -0.615   1.308  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1       -0.668  -0.323   2.122  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1        0.403  -0.221   1.188  0.00  0.00    -0.254 N 
ATOM      7  C   LIG    1       -0.052  -0.423  -0.220  0.00  0.00    +0.146 C 
ATOM      8  O   LIG    1       -0.663  -0.216   3.337  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -1.499  -0.677  -0.039  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.780  -0.014   1.521  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        2.772  -0.065   0.521  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.124   0.150   0.855  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.455   0.402   2.171  0.00  0.00    +0.170 A 
ATOM     14  O   LIG    1        5.802   0.575   2.267  0.00  0.00    -0.354 OA
ATOM     15  N   LIG    1        6.380   0.441   1.015  0.00  0.00    -0.082 NA
ATOM     16  C   LIG    1        3.535   0.464   3.215  0.00  0.00    -0.003 A 
ATOM     17  C   LIG    1        3.898   0.740   4.640  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        5.367   0.190   0.174  0.00  0.00    +0.088 A 
ATOM     19  C   LIG    1        5.626  -0.006  -1.270  0.00  0.00    +0.070 C 
ATOM     20  C   LIG    1        2.188   0.249   2.842  0.00  0.00    +0.030 A 
ENDBRANCH   6  10
BRANCH   7  21
ATOM     21  C   LIG    1        0.049   0.798  -1.115  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.178   2.103  -0.640  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.075   3.204  -1.495  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.255   3.013  -2.834  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        0.380   4.367  -3.887  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        0.482   1.731  -3.327  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.379   0.630  -2.473  0.00  0.00    +0.007 A 
ENDBRANCH   7  21
BRANCH   1  29
ATOM     28  C   LIG    1       -3.444   0.059  -2.835  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.937  -1.203  -2.154  0.00  0.00    +0.052 C 
ENDBRANCH   1  29
BRANCH   2  30
ATOM     30  C   LIG    1       -5.021  -1.395   0.175  0.00  0.00    +0.171 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.295  -2.861   0.468  0.00  0.00    +0.179 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -6.682  -3.150   0.305  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -7.144  -2.804   1.090  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 6