REMARK  Name = BDB002350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.363  -0.450   0.069  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.093  -0.600  -0.431  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1        0.063  -0.721  -1.429  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.575  -0.256   1.267  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.095  -0.536   0.410  0.00  0.00    +0.156 C 
ATOM      6  C   LIG    1        1.355  -1.882   1.077  0.00  0.00    +0.038 C 
BRANCH   5   7
ATOM      7  C   LIG    1        2.291  -0.117  -0.473  0.00  0.00    +0.237 C 
ATOM      8  N   LIG    1        3.425   0.192   0.264  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        3.325   0.108   1.264  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.181  -0.096  -1.699  0.00  0.00    -0.273 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.696   0.623  -0.206  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        5.770   0.815   0.729  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.037   1.267   0.250  0.00  0.00    -0.002 A 
ATOM     14  C   LIG    1        8.091   1.454   1.180  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        7.934   1.208   2.542  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.715   0.765   3.015  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.195   1.509  -1.137  0.00  0.00    +0.026 A 
ATOM     18 BR   LIG    1        8.831   2.116  -1.909  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        6.144   1.312  -2.028  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        5.656   0.572   2.126  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        4.908   0.873  -1.565  0.00  0.00    +0.025 A 
ENDBRANCH   8  11
ENDBRANCH   5   7
ENDBRANCH   2   5
BRANCH   1  22
ATOM     22  C   LIG    1       -2.491  -0.519  -0.983  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.782  -1.502  -0.925  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -3.704  -0.931  -0.288  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.882  -0.552   0.640  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -4.763  -1.829  -2.107  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -5.986  -1.738   0.022  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -7.249  -2.020  -0.788  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -6.967  -0.812   2.061  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -6.125  -0.550   0.902  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -6.524   0.215   0.356  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.704   0.804  -1.756  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -2.960   2.003  -0.839  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -1.554   1.119  -2.716  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 8