REMARK  Name = BDB060593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876  -1.533  -1.556  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -1.886  -0.747  -1.042  0.00  0.00    +0.102 A 
ATOM      3  S   LIG    1       -1.206   0.292   0.142  0.00  0.00    -0.047 S 
ATOM      4  C   LIG    1        0.336  -0.434  -0.097  0.00  0.00    +0.161 A 
ATOM      5  N   LIG    1        0.368  -1.369  -1.016  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1       -1.010  -2.441  -2.531  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -1.937  -2.765  -2.802  0.00  0.00    +0.144 HD
ATOM      8  H   LIG    1       -0.280  -3.138  -2.633  0.00  0.00    +0.144 HD
ENDBRANCH   1   6
BRANCH   2   9
ATOM      9  C   LIG    1       -3.286  -0.728  -1.417  0.00  0.00    +0.205 C 
ATOM     10  O   LIG    1       -3.761  -1.372  -2.353  0.00  0.00    -0.286 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -4.244   0.138  -0.699  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1       -4.694  -0.109   0.602  0.00  0.00    +0.137 A 
ATOM     13  C   LIG    1       -5.586   0.774   1.230  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -6.043   1.898   0.539  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.618   2.137  -0.769  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.725   1.260  -1.390  0.00  0.00    +0.014 A 
BRANCH  12  17
ATOM     17  N   LIG    1       -4.268  -1.288   1.340  0.00  0.00    +0.057 N 
ATOM     18  O   LIG    1       -4.037  -1.143   2.547  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -4.177  -2.353   0.720  0.00  0.00    -0.126 OA
ENDBRANCH  12  17
ENDBRANCH   9  11
ENDBRANCH   2   9
BRANCH   4  20
ATOM     20  N   LIG    1        1.396  -0.016   0.632  0.00  0.00    -0.320 N 
ATOM     21  H   LIG    1        1.305   0.868   1.118  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.738  -0.392   0.216  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        3.752  -0.086   1.347  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        4.106   1.383   1.099  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        4.523   1.135  -0.348  0.00  0.00    -0.009 C 
ATOM     26  C   LIG    1        5.601   0.048  -0.186  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        5.083  -0.778   1.001  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        3.249   0.499  -0.936  0.00  0.00    +0.026 C 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6