REMARK  Name = BDB002159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.275  -0.244   0.134  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        1.891  -0.004   0.197  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.060  -0.995   0.700  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -0.431  -1.012   0.880  0.00  0.00    +0.203 C 
ATOM      5  S   LIG    1       -1.376  -0.866  -0.648  0.00  0.00    -0.063 S 
ATOM      6  C   LIG    1       -2.490   0.202   0.197  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1       -2.149   0.564   1.403  0.00  0.00    -0.178 NA
ATOM      8  C   LIG    1       -0.661  -2.418   1.528  0.00  0.00    +0.257 C 
ATOM      9  N   LIG    1        0.591  -3.031   1.625  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        0.718  -3.953   2.013  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -1.705  -2.923   1.915  0.00  0.00    -0.272 OA
ATOM     12  N   LIG    1       -0.934   0.049   1.752  0.00  0.00    -0.239 N 
ATOM     13  H   LIG    1       -0.900  -0.219   2.735  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1        1.595  -2.203   1.145  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        2.944  -2.476   1.102  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        3.785  -1.484   0.589  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -3.753   0.646  -0.448  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.140   0.239  -1.732  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -5.342   0.693  -2.287  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.165   1.555  -1.566  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.791   1.967  -0.289  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.592   1.515   0.267  0.00  0.00    +0.010 A 
ENDBRANCH   6  17
BRANCH   1  24
ATOM     23  C   LIG    1        4.217   2.076   0.441  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        4.234   0.803  -0.410  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        3.941   1.124  -1.878  0.00  0.00    +0.012 C 
ENDBRANCH   1  24
TORSDOF 2