REMARK  Name = BDB050305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.042  -3.034   1.424  0.00  0.00    -0.050 S 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        4.184   1.319   0.912  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        3.513   1.246  -0.306  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.595   0.210  -0.542  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.365  -0.746   0.477  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1        1.436  -1.768   0.207  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.779  -1.849  -1.034  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        1.016  -0.899  -2.018  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.025  -0.663   1.658  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        1.919   0.129  -1.772  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        3.897   0.355   1.859  0.00  0.00    +0.124 A 
BRANCH   2  15
ATOM     12  N   LIG    1        5.751   3.048   0.207  0.00  0.00    -0.325 N 
ATOM     13  H   LIG    1        6.505   3.673   0.465  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1        5.761   2.686  -0.736  0.00  0.00    +0.145 HD
ATOM     15  C   LIG    1        5.163   2.377   1.244  0.00  0.00    +0.243 C 
ATOM     16  O   LIG    1        5.465   2.629   2.403  0.00  0.00    -0.270 OA
ENDBRANCH   2  15
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  S   LIG    1       -0.293  -2.039   2.639  0.00  0.00    -0.050 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.812  -2.161   1.683  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -2.264  -1.077   0.909  0.00  0.00    +0.085 A 
ATOM     20  C   LIG    1       -3.456  -1.258   0.169  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.925  -0.200  -0.625  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -3.228   1.005  -0.669  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -2.067   1.098   0.070  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.159  -2.473   0.222  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.697  -3.525   1.006  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -1.590   0.099   0.849  0.00  0.00    -0.253 NA
ATOM     27  C   LIG    1       -2.526  -3.370   1.736  0.00  0.00    +0.018 A 
BRANCH  22  28
ATOM     28  C   LIG    1       -3.725   2.111  -1.514  0.00  0.00    +0.243 C 
ATOM     29  O   LIG    1       -4.480   1.902  -2.454  0.00  0.00    -0.270 OA
ATOM     30  N   LIG    1       -3.343   3.385  -1.191  0.00  0.00    -0.325 N 
ATOM     31  H   LIG    1       -2.985   3.631  -0.278  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -3.806   4.122  -1.709  0.00  0.00    +0.145 HD
ENDBRANCH  22  28
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5