REMARK  Name = BDB063961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.083   0.221  -3.276  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.025   0.428  -2.081  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.042   0.137  -1.034  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.220  -0.428  -1.330  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.569   0.554   0.193  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.611   1.039  -0.059  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.972   0.997  -1.360  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.839   1.325  -1.756  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.302  -0.747  -0.386  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.628  -0.620  -0.831  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.675  -0.952   0.048  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.435  -1.417   1.343  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.565  -1.705   2.092  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.637  -1.461   1.374  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.101  -1.557   1.771  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.378  -0.883  -0.216  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.052  -1.226   0.903  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.405   1.557   0.913  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -1.027   1.367   1.836  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -2.861   1.696   0.889  0.00  0.00    +0.128 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.538   0.423   0.398  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -3.363  -0.767   1.130  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.960  -1.960   0.718  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.743  -1.986  -0.431  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.930  -0.820  -1.168  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.334   0.376  -0.758  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -3.261   3.027   0.204  0.00  0.00    +0.182 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -2.712   3.167  -1.110  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1       -1.764   3.367  -0.975  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6