REMARK  Name = BDB000185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.445   0.042   0.243  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.749  -1.496   0.146  0.00  0.00    -0.056 S 
ATOM      3  C   LIG    1       -0.843  -0.803   0.029  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.691   0.580   0.136  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1        0.612   1.047   0.226  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.764   1.554   0.158  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.057   2.294  -0.994  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.077   3.247  -0.973  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.796   3.473   0.201  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.492   2.755   1.357  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.473   1.801   1.339  0.00  0.00    +0.010 A 
ENDBRANCH   4   6
BRANCH   1  13
ATOM     12  C   LIG    1        3.794  -0.686   0.384  0.00  0.00    +0.235 C 
ATOM     13  N   LIG    1        2.794   0.260   0.337  0.00  0.00    -0.263 N 
ATOM     14  H   LIG    1        3.024   1.242   0.390  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        3.656  -1.907   0.369  0.00  0.00    -0.274 OA
BRANCH  12  17
ATOM     16  C   LIG    1        5.574   0.647  -0.826  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        5.202  -0.048   0.478  0.00  0.00    +0.135 C 
BRANCH  17  18
ATOM     18  N   LIG    1        6.211  -1.082   0.786  0.00  0.00    -0.320 NA
ATOM     19  H   LIG    1        5.906  -1.576   1.628  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1        6.145  -1.803   0.061  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   1  13
BRANCH   3  21
ATOM     21  C   LIG    1       -2.079  -1.711  -0.105  0.00  0.00    -0.004 C 
ATOM     22  C   LIG    1       -1.746  -3.062  -0.788  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -2.643  -2.011   1.297  0.00  0.00    +0.016 C 
ATOM     24  C   LIG    1       -3.183  -1.063  -0.965  0.00  0.00    +0.016 C 
ENDBRANCH   3  21
TORSDOF 5