REMARK  Name = BDB015538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.948   0.527   0.117  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.316  -0.320   0.930  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.012  -0.367   0.783  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.714   0.344  -0.114  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.025   1.153  -0.942  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.343   1.288  -0.853  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.818   1.903  -1.950  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.075   2.270  -1.638  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.882   2.980  -2.513  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.221   3.341  -2.073  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.452   3.373  -3.778  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.127   4.032  -4.565  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.071   2.933  -4.161  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.611   3.288  -5.539  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.330   2.240  -3.280  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.353   0.522   0.273  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.821   1.410   0.095  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.150  -0.701  -0.556  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        5.544  -0.307  -0.555  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.467  -0.910  -1.816  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.957  -2.147   0.472  0.00  0.00    +0.219 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.225  -1.923   1.955  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1        5.706  -1.723   2.270  0.00  0.00    +0.039 C 
BRANCH  22  25
ATOM     24  C   LIG    1        3.274  -2.865   3.932  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1        3.781  -3.118   2.627  0.00  0.00    -0.378 OA
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  26
ATOM     26  O   LIG    1       -0.664  -1.227   1.660  0.00  0.00    -0.423 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.038  -1.265   1.564  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1       -2.644  -2.212   0.720  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.827  -3.148  -0.122  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -4.042  -2.239   0.637  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.815  -1.367   1.403  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.202  -0.458   2.266  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -2.807  -0.406   2.370  0.00  0.00    -0.008 A 
ATOM     34  C   LIG    1       -2.162   0.584   3.296  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 8