REMARK  Name = BDB015578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218  -1.036  -0.752  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.026   0.266  -0.485  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.123   1.020  -0.274  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.393   0.501  -0.384  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -2.461  -0.839  -0.685  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.407  -1.632  -0.875  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.894   2.446   0.079  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.196   3.066  -0.410  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        0.482   4.395  -0.136  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        1.682   4.973  -0.720  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.337   5.189   0.664  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -0.131   6.376   0.902  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.530   4.502   1.255  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.390   5.316   2.168  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.762   3.212   0.963  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -3.703  -1.507  -0.787  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -4.391  -1.040  -1.376  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -4.421  -1.933   0.670  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -5.828  -1.644   0.473  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.708  -1.319   1.769  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.230  -3.728   0.741  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -2.783  -4.148   0.960  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.823  -4.407  -0.489  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        0.875  -1.843  -1.009  0.00  0.00    -0.420 OA
BRANCH  24  28
ATOM     25  N   LIG    1        4.270  -1.402  -0.388  0.00  0.00    -0.265 N 
ATOM     26  C   LIG    1        3.254  -1.796  -1.222  0.00  0.00    +0.079 A 
ATOM     27  C   LIG    1        3.467  -2.344  -2.582  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1        2.096  -1.551  -0.515  0.00  0.00    +0.175 A 
ATOM     29  C   LIG    1        2.507  -1.064   0.750  0.00  0.00    +0.102 A 
ATOM     30  C   LIG    1        1.697  -0.710   1.941  0.00  0.00    +0.071 C 
ATOM     31  N   LIG    1        3.842  -0.959   0.810  0.00  0.00    -0.172 NA
BRANCH  25  33
ATOM     32  C   LIG    1        6.199  -0.105  -1.204  0.00  0.00    +0.029 C 
ATOM     33  C   LIG    1        5.698  -1.427  -0.649  0.00  0.00    +0.140 C 
ENDBRANCH  25  33
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 7