REMARK  Name = BDB030606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.324   0.014  -2.023  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.036   0.054  -1.755  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.681   0.680  -0.608  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.140   0.401  -0.799  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1       -2.675  -1.017  -0.794  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.315  -0.320  -2.089  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.974  -0.501  -2.719  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        1.747  -0.525  -3.049  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.083  -1.260  -0.458  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -4.606  -1.036   0.905  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -6.086  -1.085   0.570  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1       -6.676   0.306   0.323  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -6.886  -1.826   1.637  0.00  0.00    +0.058 C 
ATOM     14  O   LIG    1       -6.163  -1.837  -0.658  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1       -4.917  -1.722  -1.325  0.00  0.00    -0.093 NA
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1        4.129   1.290  -0.105  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1        3.638   0.620  -1.193  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        2.260   0.628  -1.064  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1        1.922   1.308   0.097  0.00  0.00    -0.231 NA
ATOM     20  C   LIG    1        3.056   1.686   0.641  0.00  0.00    +0.200 A 
BRANCH  16  22
ATOM     21  C   LIG    1        5.824   2.947   0.720  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        5.541   1.550   0.162  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.149   0.454   1.006  0.00  0.00    +0.101 A 
ATOM     24  S   LIG    1        5.607   0.126   2.612  0.00  0.00    -0.079 S 
ATOM     25  C   LIG    1        6.762  -1.131   2.741  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        7.489  -1.214   1.575  0.00  0.00    +0.119 A 
ATOM     27  N   LIG    1        7.147  -0.305   0.594  0.00  0.00    -0.250 NA
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4