REMARK  Name = BDB028603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.161  -0.200   1.186  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.942   0.153   0.367  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.289  -1.035  -0.246  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.339  -1.183  -1.148  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.075  -0.024  -1.443  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.736   1.205  -0.837  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.447  -2.018   0.168  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.677   1.319   0.082  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.472  -1.493   1.060  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.845   0.705   1.984  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.559   1.682   1.987  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.088   0.314   3.025  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -1.607  -0.730   3.903  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.549   1.582   3.559  0.00  0.00    -0.150 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -4.614   0.013  -0.127  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1       -3.629   0.445   0.773  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -3.370  -0.276   1.952  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.103  -1.425   2.239  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -5.099  -1.848   1.353  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -5.342  -1.143   0.172  0.00  0.00    +0.007 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.914   0.344  -2.511  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.867   0.771  -1.405  0.00  0.00    +0.032 C 
ENDBRANCH  15  22
BRANCH  18  23
ATOM     23  O   LIG    1       -3.955  -2.100   3.417  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.268  -3.337   3.215  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
ENDBRANCH  12  17
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.292   2.475   0.706  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.209   3.564   0.653  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.231  -0.092  -2.418  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.505   0.165  -1.759  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        6.045   1.403  -1.788  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        7.189   1.262  -1.113  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        7.387  -0.054  -0.659  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.281  -0.744  -1.096  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8