REMARK  Name = BDB023681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.988  -1.346   1.308  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.752  -0.930   1.770  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.205   0.424   1.848  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1        0.738   0.368   3.046  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        1.284  -1.058   3.014  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.115  -1.878   2.460  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.252  -2.550   1.290  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.592   0.767   0.585  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.317  -0.181  -0.113  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        0.749  -0.967  -0.425  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        2.059   0.526  -1.175  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        1.769  -0.065  -2.548  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        1.436   1.948  -1.011  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        1.585   2.887  -1.782  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        0.658   1.990   0.138  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        3.561   0.480  -0.877  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        4.138  -0.640  -0.244  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        5.512  -0.702   0.007  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        6.333   0.350  -0.383  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        8.190   0.271  -0.043  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        5.795   1.458  -1.030  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        4.420   1.518  -1.282  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        1.659  -1.453   4.324  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        1.962  -2.376   4.285  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -3.010  -0.278   0.877  0.00  0.00    +0.146 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -1.810   2.621  -3.159  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -2.069   1.532  -2.191  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1       -1.800   0.259  -2.504  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1       -2.123  -0.484  -1.386  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1       -2.597   0.342  -0.415  0.00  0.00    +0.150 A 
ATOM     31  C   LIG    1       -2.591   1.635  -0.883  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
BRANCH  25  32
ATOM     32  C   LIG    1       -4.491  -0.749   0.825  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -4.984  -1.201   2.206  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -4.811  -1.821  -0.224  0.00  0.00    +0.008 C 
ENDBRANCH  25  32
ENDBRANCH   1  25
TORSDOF 6