REMARK  Name = BDB012084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.607  -0.391  -0.648  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.391   0.568  -0.792  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.322   1.737  -1.730  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        1.522   0.325   0.092  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.296  -0.792   0.874  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -0.215  -1.516   0.587  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.755   1.125   0.136  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.438   1.088   1.329  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.091   0.542   2.105  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.139   1.790  -0.821  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.720   1.725   1.515  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.803   0.695   1.377  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.920  -0.242   2.544  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.144  -0.195   3.495  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.928  -1.169   2.492  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.989  -1.792   3.288  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.804  -1.306   1.444  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.833  -2.387   1.549  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.693  -0.482   0.392  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.670   0.555   0.349  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        6.685   1.390  -0.901  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -1.780  -0.510  -1.350  0.00  0.00    -0.322 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.034  -0.184  -0.640  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1       -3.803  -1.459  -0.260  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -5.318  -1.255  -0.141  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.668   0.141   0.414  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -5.144   1.221  -0.570  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -3.926   0.798  -1.399  0.00  0.00    +0.024 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -7.116   0.346   0.676  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1       -7.371   1.644   1.317  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -7.699  -0.709   1.511  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1       -2.434  -1.776  -3.378  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -1.711  -0.563  -2.816  0.00  0.00    +0.102 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7