REMARK  Name = BDB051740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.153   2.263   0.355  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.308   1.414   0.190  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.330   0.072  -0.048  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.245  -0.878  -0.197  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.583  -2.222  -0.259  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -3.002  -2.698  -0.063  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -4.092  -1.668  -0.459  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.513  -3.066  -0.410  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        0.759  -2.634  -0.516  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.970  -1.310  -0.459  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        0.004  -0.399  -0.287  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -3.663  -0.276  -0.145  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.389   0.922   0.060  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.546   1.957   0.279  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -5.847   1.107   0.042  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.654   0.208  -0.172  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.249   2.391   0.282  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -5.537   3.101   0.407  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.228   2.628   0.243  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.292  -0.913  -0.584  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        2.852  -1.746  -0.435  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.649   0.213   0.250  0.00  0.00    +0.139 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.144   0.431   0.176  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.969   0.129   1.270  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        6.350   0.326   1.190  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.912   0.821   0.015  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1        8.781   1.086  -0.091  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        6.108   1.118  -1.083  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        4.728   0.922  -1.002  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4