REMARK  Name = BDB059184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.293   2.391  -1.061  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.289   1.687  -0.527  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.601   0.576   0.183  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.910   0.160   0.366  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        2.873   0.941  -0.247  0.00  0.00    +0.124 A 
ATOM      6  N   LIG    1        2.580   2.054  -0.956  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.583  -0.100   0.748  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.495   0.628   1.541  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.641   0.028   2.075  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -2.883  -1.329   1.810  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -1.972  -2.075   1.053  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -0.852  -1.454   0.498  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -3.577   0.671   2.843  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.349   2.041   3.148  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -4.007  -1.926   2.327  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.074  -1.842   1.383  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -2.128  -3.403   0.748  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -2.248  -4.220   1.914  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        2.243  -0.974   1.166  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        2.501  -1.897   1.821  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        0.921   3.842  -2.002  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.653   4.328  -1.236  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -0.363   5.205   1.272  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -0.492   4.809   0.145  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        4.623   0.569  -0.146  0.00  0.00    -0.061 S 
BRANCH  25  26
ATOM     26  C   LIG    1        4.756  -0.236  -1.703  0.00  0.00    +0.053 A 
ATOM     27  S   LIG    1        4.712  -1.936  -1.850  0.00  0.00    -0.067 S 
ATOM     28  C   LIG    1        4.875  -1.865  -3.550  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        4.974  -0.566  -3.995  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.910   0.379  -2.927  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  N   LIG    1        4.897  -2.983  -4.301  0.00  0.00    -0.353 N 
ATOM     32  H   LIG    1        5.059  -3.870  -3.830  0.00  0.00    +0.143 HD
ATOM     33  H   LIG    1        5.286  -2.953  -5.239  0.00  0.00    +0.143 HD
ENDBRANCH  28  31
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 11