REMARK  Name = BDB007314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.820   1.255  -1.119  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.896   0.554  -0.386  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -2.375  -0.668  -0.613  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -2.659  -1.224  -1.413  0.00  0.00    +0.152 HD
ATOM      5  C   LIG    1       -1.505  -1.276   0.292  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -1.025  -2.663  -0.056  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1        0.323  -2.965   0.587  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        0.277  -2.717   2.085  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1       -0.259  -1.343   2.421  0.00  0.00    +0.162 C 
ATOM     10  O   LIG    1       -0.078  -0.858   3.538  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -1.097  -0.634   1.415  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -1.508   0.796   1.742  0.00  0.00    +0.087 C 
ATOM     13  C   LIG    1       -2.518   1.313   0.747  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -3.256   2.478   0.696  0.00  0.00    +0.089 A 
ATOM     15  N   LIG    1       -4.027   2.439  -0.441  0.00  0.00    -0.363 N 
ATOM     16  H   LIG    1       -4.659   3.172  -0.734  0.00  0.00    +0.165 HD
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -0.337   1.772   1.667  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        0.468   1.874   0.515  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        1.582   2.720   0.481  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        1.878   3.504   1.598  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        1.086   3.425   2.744  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -0.010   2.562   2.780  0.00  0.00    +0.004 A 
BRANCH  19  23
ATOM     23  S   LIG    1        2.595   2.842  -0.982  0.00  0.00    -0.052 S 
BRANCH  23  24
ATOM     24  C   LIG    1        3.264   1.248  -1.022  0.00  0.00    +0.172 A 
ATOM     25  N   LIG    1        3.923   0.836  -2.144  0.00  0.00    -0.333 N 
ATOM     26  H   LIG    1        4.056   1.389  -2.976  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1        4.362  -0.446  -1.929  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1        3.932  -0.737  -0.637  0.00  0.00    +0.090 A 
ATOM     29  C   LIG    1        4.229  -1.991  -0.084  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        4.946  -2.913  -0.856  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.361  -2.592  -2.152  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        5.078  -1.345  -2.721  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1        3.249   0.323  -0.093  0.00  0.00    -0.222 NA
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  35
ATOM     34  C   LIG    1       -5.796   0.127  -2.127  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -4.535   0.936  -2.385  0.00  0.00    +0.052 C 
ENDBRANCH   1  35
TORSDOF 4