REMARK  Name = BDB041485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288  -1.081   0.614  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.995  -1.590   1.708  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.690  -1.414   2.659  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.787  -0.871  -0.479  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.112   0.513   0.234  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.828  -0.049   1.307  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.191  -0.978   2.147  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.859  -1.336   1.933  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.144  -0.763   0.875  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.777   0.158   0.027  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -3.275   1.699  -1.825  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -3.797   1.418  -0.531  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.278   0.310   1.552  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.205  -0.291   0.597  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -7.354   0.359   0.304  0.00  0.00    -0.176 NA
ATOM     16  C   LIG    1       -7.991  -0.460  -0.540  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1       -9.300  -0.069  -1.113  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1       -7.268  -1.654  -0.755  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1       -6.132  -1.524   0.008  0.00  0.00    +0.109 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1        2.622  -1.987   1.669  0.00  0.00    +0.096 S 
ATOM     21  O   LIG    1        2.739  -3.161   0.827  0.00  0.00    -0.148 OA
ATOM     22  O   LIG    1        3.022  -2.047   3.064  0.00  0.00    -0.148 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.462  -0.594   0.926  0.00  0.00    +0.239 A 
ATOM     24  C   LIG    1        3.202   0.709   1.339  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1        3.931   1.703   0.693  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        4.864   1.365  -0.295  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        5.071   0.027  -0.634  0.00  0.00    +0.049 A 
ATOM     28  N   LIG    1        4.379  -0.954  -0.019  0.00  0.00    -0.228 NA
BRANCH  27  29
ATOM     29  C   LIG    1        6.083  -0.378  -1.713  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        6.128  -1.911  -1.901  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        7.495   0.090  -1.312  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        5.692   0.252  -3.064  0.00  0.00    +0.017 C 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1        2.272   0.927   2.313  0.00  0.00    -0.492 OA
ATOM     34  C   LIG    1        2.140   2.256   2.806  0.00  0.00    +0.277 C 
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 8