REMARK  Name = BDB027643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059  -0.550   0.154  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.115  -1.425  -0.928  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -1.372  -1.504  -1.517  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.480  -2.372  -2.593  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.481  -3.141  -3.103  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.720  -3.037  -2.506  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.430  -0.797  -1.077  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.249   0.017  -0.021  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        0.952  -2.210  -1.424  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.088   0.158   0.635  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.404   0.801   0.450  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.694   0.587  -0.059  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.751   1.347   0.417  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.622   2.303   1.358  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.380   2.511   1.839  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.264   1.800   1.426  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.126  -0.294   0.906  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        0.802   0.083   1.801  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.112   0.901   0.211  0.00  0.00    +0.047 S 
ATOM     20  O   LIG    1        1.618   2.168   0.703  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        2.261   0.639  -1.204  0.00  0.00    -0.155 OA
BRANCH  19  23
ATOM     22  C   LIG    1        4.723   1.600   0.598  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        3.687   0.562   1.023  0.00  0.00    +0.145 C 
ATOM     24  C   LIG    1        4.186  -0.848   0.727  0.00  0.00    +0.033 C 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4