REMARK  Name = BDB030311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.656   1.194  -0.742  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.522   0.500  -1.597  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.693  -0.062  -1.089  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -3.551  -0.763  -1.963  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -3.317  -0.847  -2.943  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.737  -1.365  -1.587  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -5.093  -1.247  -0.178  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.271  -0.565   0.701  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -4.888  -0.560   2.287  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -6.263  -1.467   1.822  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.250  -1.770   0.478  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -5.434  -1.960  -2.404  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.020   0.066   0.278  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.159   0.774   1.121  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.983   1.340   0.613  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        0.642   2.022  -2.524  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        0.585   1.777  -1.325  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        1.641   1.967  -0.459  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        1.627   1.492   0.434  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.949   2.368  -0.949  0.00  0.00    +0.109 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.742   1.203  -1.553  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.030   0.114  -0.543  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        5.061   0.266   0.393  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.306  -0.729   1.341  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.523  -1.882   1.362  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.495  -2.042   0.435  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.249  -1.049  -0.514  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4