REMARK  Name = BDB006621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.790  -0.695  -0.453  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.027   0.564  -0.446  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.407   0.043  -0.350  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.390  -1.341  -0.279  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -2.602  -1.877  -0.193  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -3.418  -0.786  -0.202  0.00  0.00    -0.265 N 
ATOM      7  C   LIG    1       -2.729   0.413  -0.330  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.378   1.742  -0.404  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -0.038  -1.856  -0.334  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.272  -3.035  -0.297  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        5.105  -3.196  -0.621  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        4.290  -1.944  -0.694  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        5.033  -0.673  -0.945  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        6.253  -0.687  -1.090  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        4.251   0.477  -0.994  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1        4.898   1.761  -1.222  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        2.875   0.451  -0.833  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        2.180  -0.683  -0.612  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        2.955  -1.913  -0.542  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        0.167   1.449   0.773  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.389   0.923   2.060  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.564   1.770   3.158  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.517   3.150   2.984  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.731   4.192   4.336  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.297   3.692   1.721  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.122   2.848   0.622  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   6  27
ATOM     27  C   LIG    1       -4.864  -0.980  -0.098  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -5.418  -1.677  -1.339  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -5.240  -1.732   1.180  0.00  0.00    +0.032 C 
ENDBRANCH   6  27
TORSDOF 3