REMARK  Name = BDB054109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.757  -2.025  -0.092  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.798  -1.089   0.260  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.158  -0.216   0.653  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.546  -2.916  -0.908  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.500  -1.041  -0.401  0.00  0.00    +0.089 C 
ATOM      6  C   LIG    1        1.564  -0.363   0.491  0.00  0.00    +0.131 C 
ATOM      7  N   LIG    1        2.717   0.185  -0.296  0.00  0.00    -0.179 NA
ATOM      8  C   LIG    1        2.936  -0.543  -1.567  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        1.740  -0.298  -2.486  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        0.397  -0.328  -1.753  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  S   LIG    1        4.113   0.461   0.661  0.00  0.00    +0.036 S 
ATOM     12  O   LIG    1        3.647   1.016   1.916  0.00  0.00    -0.158 OA
ATOM     13  O   LIG    1        4.889  -0.761   0.616  0.00  0.00    -0.158 OA
BRANCH  11  14
ATOM     14  C   LIG    1        4.937   1.758  -0.279  0.00  0.00    +0.220 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.186   2.183   0.450  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        7.402   1.520   0.228  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        8.557   1.913   0.905  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.509   2.970   1.812  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.305   3.631   2.046  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.149   3.240   1.370  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  21
ATOM     21  C   LIG    1       -3.144  -1.740   0.542  0.00  0.00    +0.164 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.477   0.584  -0.252  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -3.796  -0.756  -0.330  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -4.145  -1.095  -1.219  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -2.688   1.025   0.585  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -4.148   1.462  -1.329  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -3.334   1.369  -2.616  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -5.233   3.090   0.113  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -4.203   2.874  -0.898  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -3.295   3.108  -0.484  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -4.035  -2.995   0.797  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -5.296  -2.557   1.576  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.500  -3.704  -0.489  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -3.272  -4.008   1.675  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 9