REMARK  Name = BDB030297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.620   1.775  -0.055  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.642   0.622  -0.850  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.868   0.075  -1.236  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        1.874  -1.091  -2.032  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.003  -1.516  -2.319  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.014  -1.732  -2.480  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.282  -1.131  -2.084  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.305   0.012  -1.306  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        5.892   0.528  -0.969  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.569  -0.768  -1.858  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.600  -1.581  -2.403  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        2.940  -2.747  -3.167  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.084   0.674  -0.844  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.052   1.834  -0.065  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.825   2.382   0.323  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -0.690   3.585   0.705  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -0.658   2.401   0.389  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -1.754   1.572   0.446  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.605   0.565   0.484  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.005   2.011   1.036  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.148   1.038   0.746  0.00  0.00    +0.074 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.925  -0.315   1.383  0.00  0.00    +0.043 A 
ATOM     23  N   LIG    1       -2.838  -1.022   0.969  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1       -2.641  -2.238   1.528  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.474  -2.790   2.486  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.579  -2.056   2.896  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.813  -0.802   2.339  0.00  0.00    +0.023 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4