REMARK  Name = BDB016727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.417  -1.194  -0.096  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.074  -1.154   0.401  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.447  -2.257  -0.164  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -0.892  -2.587   0.076  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -1.655  -1.752   0.913  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -1.026  -0.638   1.493  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1        1.403  -2.858  -0.933  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        1.308  -3.698  -1.492  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        0.319  -0.321   1.246  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        2.586  -2.227  -0.937  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.104  -2.060   1.217  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -4.231  -1.139   0.797  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -4.084   0.155   0.047  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -5.038   1.053   0.553  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -5.190   2.344   0.090  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.343   2.755  -0.939  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.385   1.876  -1.473  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.782   0.427   1.555  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -6.540   0.846   2.071  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -3.254   0.570  -0.984  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -5.375  -0.880   1.752  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -5.833  -1.690   2.539  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -4.064  -2.467   0.117  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  26
ATOM     24  C   LIG    1        5.465   0.962  -0.569  0.00  0.00    +0.106 A 
ATOM     25  C   LIG    1        4.411   0.083  -0.837  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        3.526  -0.281   0.186  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.736   0.226   1.478  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        4.800   1.095   1.741  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.668   1.468   0.717  0.00  0.00    +0.028 A 
BRANCH  24  30
ATOM     30  S   LIG    1        6.561   1.418  -1.884  0.00  0.00    +0.056 S 
ATOM     31  O   LIG    1        6.762   0.273  -2.737  0.00  0.00    -0.153 OA
ATOM     32  O   LIG    1        7.659   2.176  -1.327  0.00  0.00    -0.153 OA
BRANCH  30  33
ATOM     33  N   LIG    1        5.631   2.543  -2.726  0.00  0.00    -0.204 NA
ATOM     34  H   LIG    1        4.660   2.573  -2.419  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        6.084   3.456  -2.663  0.00  0.00    +0.144 HD
ENDBRANCH  30  33
ENDBRANCH  24  30
ENDBRANCH   1  26
TORSDOF 4