REMARK  Name = BDB023729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.534  -0.954  -0.994  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.703  -2.055  -0.918  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.051  -2.558   0.236  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.270  -4.032  -0.094  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.440  -4.022  -1.611  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.562  -2.955  -2.058  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.076  -0.671  -2.066  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.379  -1.808   0.351  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.601  -0.598  -0.242  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        1.216  -0.446  -1.165  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.990  -0.273  -0.018  0.00  0.00    +0.227 C 
ATOM     12  C   LIG    1        3.781  -0.363  -1.321  0.00  0.00    +0.086 C 
ATOM     13  O   LIG    1        3.450  -1.324   0.867  0.00  0.00    -0.362 OA
ATOM     14  N   LIG    1        2.388  -2.275   1.033  0.00  0.00    -0.069 NA
BRANCH  11  15
ATOM     15  C   LIG    1        3.145   1.092   0.636  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        4.187   1.335   1.551  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.348   2.591   2.145  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        3.470   3.623   1.829  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        3.682   5.318   2.637  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        2.436   3.413   0.922  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.281   2.158   0.324  0.00  0.00    +0.010 A 
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1        0.148  -5.292  -2.166  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1        0.777  -5.931  -1.787  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -1.777  -0.135   0.285  0.00  0.00    +0.146 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -2.605   4.645  -1.389  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -2.186   3.407  -0.696  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -1.340   3.466   0.338  0.00  0.00    -0.083 NA
ATOM     28  O   LIG    1       -1.163   2.160   0.753  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1       -1.889   1.321  -0.040  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -2.561   2.075  -0.974  0.00  0.00    +0.071 A 
ENDBRANCH  24  29
BRANCH  24  31
ATOM     31  C   LIG    1       -2.972  -0.707   1.087  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -4.335  -0.529   0.409  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -3.021  -0.129   2.506  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 6