REMARK  Name = BDB020984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.933  -6.423   0.533  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        1.919  -5.405   0.986  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.954  -4.153   0.382  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.884  -3.227   0.756  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1        1.185  -1.832   0.335  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1        2.276  -1.499  -0.435  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1        2.252  -0.148  -0.669  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1        1.177   0.385  -0.127  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        3.254  -2.472  -0.874  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1        0.516  -0.636   0.513  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1        2.656  -3.874  -0.873  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1        1.109  -5.690   1.869  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -0.744  -0.426   1.201  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -1.722   0.372   0.580  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -2.963   0.592   1.215  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.168   1.295   0.934  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1       -5.046   1.213   1.943  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1       -4.427   0.437   2.848  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1       -5.096   0.124   4.088  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1       -3.170   0.031   2.475  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -2.206  -0.751   3.126  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -0.991  -0.967   2.466  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1       -4.478   2.048  -0.277  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -5.393   3.068  -0.423  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1       -5.335   3.442  -1.731  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1       -6.104   4.482  -2.370  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1       -4.456   2.726  -2.458  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -3.944   1.868  -1.566  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH  10  13
BRANCH   7  29
ATOM     29  C   LIG    1        3.307   0.629  -1.408  0.00  0.00    +0.058 C 
ATOM     30  C   LIG    1        2.654   1.660  -2.358  0.00  0.00    +0.034 C 
ATOM     31  C   LIG    1        2.435   3.018  -1.706  0.00  0.00    +0.166 C 
ATOM     32  S   LIG    1        4.002   3.799  -1.346  0.00  0.00    -0.031 S 
ATOM     33  O   LIG    1        3.849   4.592  -0.143  0.00  0.00    -0.174 OA
ATOM     34  O   LIG    1        4.498   4.393  -2.573  0.00  0.00    -0.174 OA
ATOM     35  C   LIG    1        5.068   2.417  -0.965  0.00  0.00    +0.166 C 
ATOM     36  C   LIG    1        4.280   1.255  -0.387  0.00  0.00    +0.034 C 
ENDBRANCH   7  29
TORSDOF 3