REMARK  Name = BDB056042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.370  -0.923   2.089  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.364  -0.960   2.134  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1        2.167  -0.454   1.145  0.00  0.00    -0.411 OA
ATOM      4  C   LIG    1        3.421  -0.716   1.631  0.00  0.00    +0.249 A 
ATOM      5  N   LIG    1        3.392  -1.319   2.801  0.00  0.00    -0.106 NA
ATOM      6  N   LIG    1        2.059  -1.477   3.126  0.00  0.00    -0.101 NA
BRANCH   4   7
ATOM      7  C   LIG    1        4.558  -0.304   0.817  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        5.862  -0.549   1.274  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        6.966  -0.158   0.516  0.00  0.00    +0.163 A 
ATOM     10  O   LIG    1        8.202  -0.417   1.050  0.00  0.00    -0.485 OA
ATOM     11  C   LIG    1        9.228   0.318   0.372  0.00  0.00    +0.270 C 
ATOM     12  C   LIG    1        9.050   0.224  -1.134  0.00  0.00    +0.270 C 
ATOM     13  O   LIG    1        7.819   0.837  -1.537  0.00  0.00    -0.485 OA
ATOM     14  C   LIG    1        6.782   0.457  -0.725  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        5.496   0.720  -1.187  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        4.389   0.340  -0.421  0.00  0.00    +0.017 A 
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.638  -0.083   0.506  0.00  0.00    +0.114 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -4.875   0.396  -0.324  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -4.177  -0.744  -0.754  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -2.812  -0.898  -0.490  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.106   0.088   0.209  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1       -2.796   1.225   0.649  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.160   1.376   0.382  0.00  0.00    +0.009 A 
BRANCH  18  26
ATOM     24  C   LIG    1       -8.602  -0.288  -0.494  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1       -7.234  -0.440  -0.233  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -6.312   0.556  -0.600  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -6.803   1.708  -1.237  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -8.166   1.864  -1.500  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -9.066   0.866  -1.129  0.00  0.00    +0.019 A 
BRANCH  24  31
ATOM     30  N   LIG    1      -10.272  -2.149   0.197  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1       -9.524  -1.317  -0.110  0.00  0.00    +0.099 C 
ENDBRANCH  24  31
ENDBRANCH  18  26
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6