REMARK  Name = BDB016093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.692  -2.133  -0.356  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.181  -1.130  -0.108  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.493  -1.433  -0.027  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.942  -2.752  -0.152  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.968  -3.698  -0.403  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.343  -3.421  -0.514  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.935  -0.120  -0.545  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.574  -0.464  -0.476  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.128  -1.800  -0.463  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.113  -2.800  -0.550  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.471  -2.481  -0.633  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.879  -1.148  -0.625  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        3.959   4.842  -0.833  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.352   3.468  -0.638  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.583   3.184  -0.174  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.583   1.851  -0.090  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.360   1.270  -0.502  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.591   2.357  -0.867  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.329  -3.162  -0.053  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.172  -2.864   0.996  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.363  -3.465   0.711  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.562  -3.446   1.512  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.355  -4.138  -0.455  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.112  -3.965  -0.911  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.416  -0.408   0.229  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.237  -0.538  -0.361  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.026   0.997   0.340  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -1.414   1.545  -0.955  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -1.312   3.061  -0.923  0.00  0.00    +0.167 C 
ATOM     30  S   LIG    1       -0.460   3.669   0.522  0.00  0.00    -0.031 S 
ATOM     31  O   LIG    1        0.774   4.290   0.079  0.00  0.00    -0.174 OA
ATOM     32  O   LIG    1       -1.423   4.408   1.316  0.00  0.00    -0.174 OA
ATOM     33  C   LIG    1       -0.033   2.199   1.429  0.00  0.00    +0.167 C 
ATOM     34  C   LIG    1       -1.222   1.273   1.623  0.00  0.00    +0.045 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5