REMARK  Name = BDB059185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.184   2.045   1.744  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.004   1.528   1.408  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.066   0.206   1.119  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.057  -0.605   1.146  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        2.240   0.026   1.495  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        2.314   1.337   1.816  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.425  -0.253   0.765  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.147   0.416  -0.244  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -3.438   0.018  -0.601  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -4.007  -1.089   0.048  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -3.326  -1.761   1.074  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -2.043  -1.330   1.430  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -4.199   0.616  -1.572  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.772   1.890  -2.036  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -5.290  -1.473  -0.275  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.254  -2.446  -1.318  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -3.992  -2.805   1.662  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -3.283  -3.591   2.609  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.006  -1.993   0.820  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        0.966  -3.131   0.595  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        1.214   3.771   2.133  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        2.999   4.083   2.007  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.552   6.673   2.354  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.301   5.509   2.198  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        3.810  -0.828   1.591  0.00  0.00    -0.040 S 
BRANCH  25  26
ATOM     26  C   LIG    1        4.230  -0.774  -0.108  0.00  0.00    +0.165 A 
ATOM     27  S   LIG    1        5.745  -1.312  -0.704  0.00  0.00    -0.044 S 
ATOM     28  C   LIG    1        5.184  -0.904  -2.276  0.00  0.00    +0.100 A 
ATOM     29  C   LIG    1        6.043  -1.112  -3.469  0.00  0.00    +0.075 C 
ATOM     30  N   LIG    1        3.964  -0.410  -2.301  0.00  0.00    -0.146 NA
ATOM     31  N   LIG    1        3.409  -0.339  -1.040  0.00  0.00    -0.134 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10