REMARK  Name = BDB030618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.042  -0.283  -1.907  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        0.068   0.534  -1.746  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.822   0.956  -2.916  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        1.941   1.778  -2.368  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        2.977   1.175  -1.438  0.00  0.00    +0.071 C 
ATOM      6  C   LIG    1        1.758   1.901  -0.897  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        0.524   1.151  -0.507  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -1.355  -0.704  -3.023  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -3.406  -1.527   0.543  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1       -2.966  -1.450  -0.748  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.842  -0.642  -0.722  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1       -1.608  -0.235   0.584  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1       -2.559  -0.780   1.309  0.00  0.00    +0.200 A 
BRANCH   9  15
ATOM     14  C   LIG    1       -4.180  -3.385   1.976  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -4.571  -2.273   1.003  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -5.630  -1.350   1.606  0.00  0.00    +0.030 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   5  17
ATOM     17  C   LIG    1        4.327   1.801  -1.321  0.00  0.00    +0.173 C 
ATOM     18  O   LIG    1        4.810   2.363  -2.298  0.00  0.00    -0.291 OA
BRANCH  17  19
ATOM     19  C   LIG    1        4.951   1.663  -0.015  0.00  0.00    +0.055 A 
ATOM     20  S   LIG    1        6.492   2.372   0.250  0.00  0.00    -0.094 S 
ATOM     21  C   LIG    1        6.547   1.828   1.868  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.419   1.119   2.212  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.499   1.023   1.127  0.00  0.00    +0.019 A 
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4