REMARK  Name = BDB032625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.196   0.185   0.598  0.00  0.00    +0.170 A 
ATOM      2  O   LIG    1       -0.529  -0.857   0.029  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.702  -1.006   0.637  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.780  -0.039   1.551  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.391   0.748   1.560  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.475  -0.512  -0.232  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -2.519   0.485   0.066  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -2.853   1.837  -0.146  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -4.093   2.216  -0.666  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -5.021   1.232  -0.983  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.713  -0.115  -0.772  0.00  0.00    +0.010 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -4.261   3.564  -0.817  0.00  0.00    -0.495 OA
ATOM     13  C   LIG    1       -5.510   4.000  -1.341  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
BRANCH   6  14
ATOM     14  C   LIG    1       -3.185  -1.985  -0.008  0.00  0.00    +0.195 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.112  -4.138   0.227  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1       -4.388  -2.760   0.015  0.00  0.00    -0.378 OA
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  N   LIG    1        1.865   0.184   2.382  0.00  0.00    -0.197 N 
ATOM     18  H   LIG    1        1.927   1.046   2.914  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.342  -0.593   2.224  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1        3.100  -2.007   2.424  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        4.254   0.121   3.099  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.852  -0.252   0.564  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1        4.296  -1.266  -0.288  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        4.682  -0.961  -1.600  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.595   0.346  -2.075  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.161   1.362  -1.228  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.819   1.071   0.098  0.00  0.00    +0.150 A 
BRANCH  23  28
ATOM     28  O   LIG    1        4.485  -2.547   0.151  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1        3.503  -3.432  -0.390  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
BRANCH  27  30
ATOM     30  O   LIG    1        3.400   2.095   0.909  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        4.493   2.955   1.248  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 9