REMARK  Name = BDB063701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.317  -1.845   1.281  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1        1.272  -1.280   2.119  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.144  -2.292   0.702  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1        0.175  -2.916  -0.358  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1        4.553   1.375  -0.934  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1        3.249   1.294  -1.717  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1        1.936   0.378  -0.844  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1        2.983  -1.081  -0.583  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1        4.132  -0.678   0.198  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1        3.858  -1.410   1.301  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        4.339  -1.441   2.409  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1        2.622  -2.041   0.594  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1        4.870   0.454   0.011  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1        5.295   3.383  -2.252  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1        5.423   2.519  -1.235  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1        6.064   0.587   0.885  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1        7.043  -0.137   0.868  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1        5.932   1.597   1.763  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1        6.721   1.508   2.338  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1       -1.074  -1.965   1.419  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1       -2.263  -2.358   0.862  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1       -3.268  -1.936   1.678  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1       -2.742  -1.286   2.772  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -1.334  -1.304   2.608  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.652  -2.246   1.235  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -5.432  -1.047   1.270  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.422  -0.228   0.175  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1       -6.354   0.814   0.224  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -6.450   1.737  -0.821  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -5.605   1.627  -1.927  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -4.668   0.591  -1.978  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -4.576  -0.332  -0.929  0.00  0.00    +0.047 A 
BRANCH  30  33
ATOM     33  C   LIG    1       -5.694   2.572  -3.001  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       -5.767   3.338  -3.870  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 9