REMARK  Name = BDB006702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.150  -0.403   0.114  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.760  -0.112  -1.051  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -2.079  -0.360  -0.439  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -3.454  -0.414  -0.705  0.00  0.00    +0.100 A 
ATOM      5  N   LIG    1       -4.137  -0.738   0.416  0.00  0.00    -0.172 NA
ATOM      6  N   LIG    1       -3.177  -0.919   1.359  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -1.946  -0.700   0.871  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -0.597  -0.733   1.290  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1       -0.199  -0.998   2.411  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1        4.130   0.191  -2.807  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        3.543  -0.087  -1.447  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1        4.364  -0.317  -0.299  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1        3.741  -0.567   0.909  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.767  -0.750   1.810  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        5.922  -0.618   1.188  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        4.571  -1.046   3.247  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        2.360  -0.603   1.072  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        1.543  -0.387   0.021  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.668  -0.347  -0.136  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.199  -0.128  -1.274  0.00  0.00    +0.032 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.784   1.338  -1.502  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -1.016   1.629  -2.860  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.049   2.950  -3.315  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.851   3.996  -2.419  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.893   5.621  -2.979  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.623   3.733  -1.071  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.591   2.413  -0.614  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1       -3.485  -1.297   2.749  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -4.529  -2.335   3.090  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.078  -2.634   3.325  0.00  0.00    +0.029 C 
ENDBRANCH   6  28
BRANCH   4  31
ATOM     31  C   LIG    1       -4.154  -0.166  -1.994  0.00  0.00    +0.270 C 
ATOM     32  F   LIG    1       -3.341  -0.473  -3.049  0.00  0.00    -0.242 F 
ENDBRANCH   4  31
TORSDOF 4