REMARK  Name = BDB063967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396  -1.957   0.037  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.346  -3.186  -0.524  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.101  -3.841  -0.617  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.927  -3.439  -0.920  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.373  -4.432  -1.458  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.633  -2.189  -0.529  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.937  -2.006  -0.771  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.738  -1.324   0.061  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.725  -0.805  -0.448  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.750  -0.428  -1.331  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.532   0.700  -1.023  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.328   1.447   0.139  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.175   2.531   0.306  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.003   2.599  -0.710  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.310   1.048   1.025  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.833   1.396  -1.916  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.525  -0.074   0.726  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.586  -1.505   0.507  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -2.392  -1.866   0.003  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -1.990   0.708  -0.575  0.00  0.00    +0.147 C 
ATOM     21  C   LIG    1       -1.763  -0.081   0.753  0.00  0.00    +0.132 C 
ATOM     22  C   LIG    1       -3.046   0.196   1.491  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -3.693   1.315   0.953  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -4.870   1.794   1.504  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.405   1.127   2.608  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.757   0.007   3.151  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.564  -0.461   2.597  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -2.920   1.884  -0.201  0.00  0.00    +0.069 C 
BRANCH  20  30
ATOM     29  C   LIG    1       -2.428   0.299  -2.885  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -2.639  -0.146  -1.551  0.00  0.00    -0.377 OA
ENDBRANCH  20  30
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4