REMARK  Name = BDB033583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.454   0.600  -0.795  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.711   0.167  -0.108  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.092   1.275   0.622  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.204   1.329   1.457  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.970   0.156   1.554  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.595  -0.996   0.829  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.215   2.288   0.396  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.475  -1.012  -0.022  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -0.761   1.864  -0.489  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.179  -0.203  -1.665  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.947  -1.194  -1.711  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.712   0.160  -2.224  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.603   1.379  -2.999  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.212  -1.054  -2.842  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.615  -0.526   0.275  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.675   0.418  -0.760  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.506   1.533  -0.619  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.252   1.708   0.554  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.149   0.792   1.600  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.326  -0.323   1.463  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.600  -2.818   0.006  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.813  -1.635   0.177  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.717   2.414  -1.643  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.068   3.662  -1.393  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  C   LIG    1        4.194   0.123   2.444  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.415  -0.046   1.668  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        5.906  -1.284   1.439  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        7.013  -1.057   0.727  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        7.232   0.314   0.498  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        6.182   0.945   1.122  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1        1.055  -2.091  -0.750  0.00  0.00    -0.461 OA
BRANCH  31  32
ATOM     32  C   LIG    1        2.016  -3.114  -0.975  0.00  0.00    +0.444 C 
ATOM     33  F   LIG    1        1.458  -3.970  -1.872  0.00  0.00    -0.204 F 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 9