REMARK  Name = BDB065300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.621   0.171  -0.419  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1        4.735  -0.906  -0.307  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.367  -0.682  -0.084  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        2.889   0.648   0.024  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        1.524   0.872   0.246  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        0.649  -0.209   0.340  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        1.106  -1.520   0.255  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.792   1.717  -0.093  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.463  -1.753   0.034  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.150   1.482  -0.317  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        7.709  -1.068  -0.152  0.00  0.00    -0.285 NA
ATOM     12  H   LIG    1        7.107  -1.611   0.474  0.00  0.00    +0.188 HD
ATOM     13  C   LIG    1        7.067  -0.068  -0.667  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1        7.773   0.775  -1.471  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        7.273   1.137  -2.275  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        8.668   0.367  -1.721  0.00  0.00    +0.144 HD
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  O   LIG    1       -0.695   0.065   0.609  0.00  0.00    -0.422 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.555  -0.187  -0.445  0.00  0.00    +0.349 C 
ATOM     19  O   LIG    1       -1.278  -0.707  -1.517  0.00  0.00    -0.244 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.932   0.200  -0.051  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1       -3.155   1.364   0.835  0.00  0.00    +0.231 A 
ATOM     22  O   LIG    1       -2.326   2.259   0.949  0.00  0.00    -0.279 OA
ATOM     23  S   LIG    1       -4.646   1.420   1.754  0.00  0.00    -0.046 S 
ATOM     24  C   LIG    1       -5.787   0.570   0.688  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -5.352  -0.283  -0.335  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -6.303  -0.943  -1.129  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.668  -0.749  -0.912  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.097   0.100   0.104  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.159   0.755   0.903  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1       -3.929  -0.531  -0.581  0.00  0.00    +0.028 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 5