REMARK  Name = BDB021661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.631   1.476   0.480  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -1.378   0.621   0.184  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -1.309  -0.521   0.658  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.399   1.076  -0.657  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -0.474   2.211  -1.545  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        0.781   2.121  -2.418  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.137   0.643  -2.390  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -0.427   3.449  -0.864  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -1.284   3.600   0.258  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        0.746   0.229  -0.974  0.00  0.00    +0.165 C 
ATOM     11  C   LIG    1       -2.640   2.948   0.068  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -5.058   0.961   0.407  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -3.776   0.745  -0.063  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -3.625  -0.239  -0.295  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -5.374   1.919   1.105  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -6.060  -0.104  -0.095  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -7.389  -0.041   0.652  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -5.182  -1.994   1.229  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.431  -1.454  -0.106  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -6.063  -2.092  -0.592  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.910   0.436   0.028  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        2.895  -0.536  -0.115  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        2.673  -1.291  -0.744  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.930   1.380   0.812  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.140  -0.637   0.563  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        4.982  -1.774   0.322  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.231  -1.846   0.998  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        7.093  -2.938   0.795  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.750  -3.975  -0.067  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.538  -3.935  -0.737  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.617  -0.827   1.876  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        5.793   0.267   2.101  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        4.670  -2.855  -0.547  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        4.567   0.361   1.448  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5