REMARK  Name = BDB033617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586   1.716   0.249  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.812   1.482   0.224  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.118   1.146   1.529  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.399   0.847   1.985  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.441   0.910   1.039  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        3.160   1.229  -0.302  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1       -0.021   1.152   2.271  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.847   1.491  -0.723  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -1.093   1.500   1.466  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.325   2.103  -0.860  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.864   2.150  -1.766  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.991   1.983  -0.962  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.546   2.847   0.058  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.322   2.196  -2.359  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.603  -0.716  -1.287  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.330   0.279  -0.615  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.312  -0.098   0.304  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.549  -1.455   0.561  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -3.788  -2.437  -0.072  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.812  -2.067  -0.993  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.079  -0.670  -3.531  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -1.630  -0.394  -2.200  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.148   0.815   0.885  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.837   0.995   2.268  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        4.862   0.602   1.471  0.00  0.00    +0.098 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.126  -0.871   1.579  0.00  0.00    +0.083 A 
ATOM     27  S   LIG    1        5.646  -1.768   0.202  0.00  0.00    -0.080 S 
ATOM     28  C   LIG    1        5.688  -3.188   1.159  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1        5.310  -2.891   2.449  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        4.991  -1.570   2.688  0.00  0.00    -0.252 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1        1.578   1.792  -2.036  0.00  0.00    -0.461 OA
BRANCH  31  32
ATOM     32  C   LIG    1        1.723   0.631  -2.851  0.00  0.00    +0.444 C 
ATOM     33  F   LIG    1        1.067   0.894  -4.013  0.00  0.00    -0.204 F 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 9