REMARK  Name = BDB032853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.392   0.419  -1.386  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.128   0.875  -0.933  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -0.390   2.094  -1.411  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1        0.276   2.833  -2.387  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.489   2.367  -2.875  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.033   1.173  -2.386  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.633   0.066   0.067  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1       -1.982  -0.038  -0.184  0.00  0.00    -0.260 N 
ATOM      9  H   LIG    1       -2.368   0.401  -1.010  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1       -0.017  -0.453   0.991  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -2.917  -0.704   0.564  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1       -2.540  -1.556   1.992  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1       -4.175  -1.977   2.149  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1       -4.916  -1.446   1.121  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1       -4.184  -0.705   0.208  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1       -4.655  -2.776   3.229  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1       -3.843  -3.179   4.071  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1       -5.872  -3.006   3.239  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.901  -0.826  -0.962  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1        1.524  -1.049  -0.031  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.333  -1.092  -1.063  0.00  0.00    +0.101 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.693  -2.400  -0.350  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.049  -1.691   2.032  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.129  -2.229   1.110  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   3  25
ATOM     25  O   LIG    1       -1.625   2.582  -0.963  0.00  0.00    -0.425 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.499   3.468   0.104  0.00  0.00    +0.309 C 
ATOM     27  O   LIG    1       -0.457   3.849   0.617  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -2.868   3.894   0.542  0.00  0.00    +0.136 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9