REMARK  Name = BDB010860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.302  -0.353  -0.671  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.438  -1.427  -0.104  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.668  -1.703  -0.652  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.121  -2.803   0.016  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.261  -3.147   0.949  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.209  -0.973  -1.716  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.513  -0.008  -2.260  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.196  -2.277   0.874  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.282   0.287  -1.708  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.123   0.919   0.787  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        3.061   0.748   1.676  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        1.819   0.332   1.191  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.623   0.102  -0.181  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.703   0.290  -1.060  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.949   0.704  -0.582  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.462  -0.070   1.924  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        5.702   1.446   1.405  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        5.460   2.260   2.581  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        6.461   1.969   0.284  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -3.457  -1.248  -2.240  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -3.568  -0.645  -3.054  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.662  -1.131  -1.415  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.753   0.105  -0.593  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1       -4.286   0.014   0.685  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1       -4.434   1.240   1.250  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -4.990   2.119   0.351  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -5.196   1.387  -0.844  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5