REMARK  Name = BDB061123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.954   0.644   0.617  0.00  0.00    +0.027 A 
ATOM      2  S   LIG    1       -1.550   0.729  -0.359  0.00  0.00    -0.086 S 
ATOM      3  C   LIG    1       -0.734   1.716   0.776  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -1.536   2.011   1.860  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.814   1.385   1.773  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.596   2.194   0.546  0.00  0.00    +0.080 A 
ATOM      7  N   LIG    1        1.722   1.420   0.330  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1        2.780   2.306   0.145  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        4.068   1.754  -0.112  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        4.266   0.413  -0.154  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1        3.114  -0.475   0.070  0.00  0.00    +0.027 A 
ATOM     12  N   LIG    1        2.396   3.559   0.260  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1        1.893   0.037   0.303  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        1.051   3.498   0.514  0.00  0.00    +0.140 A 
BRANCH  10  15
ATOM     15  C   LIG    1        5.565  -0.146  -0.408  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.050  -1.354   0.046  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        7.324  -1.459  -0.436  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        8.246  -2.547  -0.223  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        7.705  -0.405  -1.177  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        6.635   0.395  -1.159  0.00  0.00    +0.142 A 
ENDBRANCH  10  15
ENDBRANCH   3   6
BRANCH   1  22
ATOM     21  C   LIG    1       -4.164  -1.533   0.398  0.00  0.00    +0.132 A 
ATOM     22  C   LIG    1       -4.111  -0.139   0.161  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1       -5.178   0.502  -0.510  0.00  0.00    +0.132 A 
ATOM     24  C   LIG    1       -6.276  -0.251  -0.937  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -6.319  -1.625  -0.706  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -5.272  -2.264  -0.042  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -3.100  -3.486   1.281  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -3.099  -2.081   1.071  0.00  0.00    -0.494 OA
ENDBRANCH  21  28
BRANCH  23  29
ATOM     29  O   LIG    1       -5.062   1.860  -0.688  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -6.041   2.508  -1.487  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
ENDBRANCH   1  22
TORSDOF 5