REMARK  Name = BDB019654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.507   1.390  -0.367  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1        0.651   0.926   0.156  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.718  -0.408   0.427  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.313  -1.303   0.185  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.494  -0.817  -0.380  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.587   0.554  -0.653  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.432   3.276   1.021  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -1.435   3.717  -0.011  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -0.538   2.833  -0.642  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.374   3.365  -1.567  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.341   4.718  -1.851  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -0.528   5.576  -1.286  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -1.388   5.060  -0.382  0.00  0.00    +0.114 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.010  -0.891   1.014  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        2.919   0.112   1.266  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.652   1.043   0.956  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.216  -2.080   1.224  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.274  -0.147   1.678  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.195  -0.186   0.485  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        5.835   0.979   0.037  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        6.664   0.947  -1.090  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        7.415   2.426  -1.575  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        6.855  -0.253  -1.783  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        7.862  -0.367  -3.183  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.212  -1.415  -1.347  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.384  -1.380  -0.223  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.656  -1.739  -0.643  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.420  -1.899   0.576  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -3.566  -1.020   1.064  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.564  -2.613   0.606  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -4.590  -3.799  -0.054  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -3.740  -4.337   0.061  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -5.797  -4.483   0.368  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -6.601  -3.335   0.988  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -5.627  -2.240   1.255  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7