REMARK  Name = BDB015556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.450  -0.532   0.271  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.518   0.685  -0.305  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.363   1.343  -0.479  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.845   0.891  -0.115  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        0.858  -0.323   0.434  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -0.257  -1.076   0.693  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.168  -1.107   0.927  0.00  0.00    +0.185 A 
ATOM      8  C   LIG    1       -5.225  -2.613   0.784  0.00  0.00    +0.293 A 
ATOM      9  O   LIG    1       -6.287  -3.213   0.948  0.00  0.00    -0.264 OA
ATOM     10  N   LIG    1       -4.025  -3.248   0.458  0.00  0.00    -0.315 N 
ATOM     11  C   LIG    1       -4.016  -4.692   0.276  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -2.835  -2.560   0.299  0.00  0.00    +0.099 A 
ATOM     13  C   LIG    1       -2.751  -1.227   0.458  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.977  -0.502   0.761  0.00  0.00    +0.062 A 
BRANCH   7  16
ATOM     15  C   LIG    1       -6.376   0.934   1.313  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -6.367  -0.483   1.215  0.00  0.00    -0.490 OA
ENDBRANCH   7  16
ENDBRANCH   1  13
BRANCH   5  17
ATOM     17  N   LIG    1        2.173  -0.702   0.808  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        2.763   0.093   0.545  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.763  -2.088   0.037  0.00  0.00    +0.047 S 
ATOM     20  O   LIG    1        3.268  -1.669  -1.252  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        1.775  -3.140   0.151  0.00  0.00    -0.155 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.154  -2.522   1.103  0.00  0.00    +0.145 C 
ATOM     23  C   LIG    1        4.801  -3.813   0.606  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        5.185  -1.402   1.179  0.00  0.00    +0.033 C 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   3  25
ATOM     25  O   LIG    1       -0.490   2.590  -1.082  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1        0.677   3.297  -1.270  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1        1.425   3.108  -2.446  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1        1.015   2.108  -3.488  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1        2.607   3.841  -2.614  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        3.011   4.767  -1.652  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        2.239   4.974  -0.509  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        1.055   4.253  -0.310  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1        0.239   4.479   0.930  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7