REMARK  Name = BDB037260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.392  -1.521  -0.457  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -0.914  -1.925   0.737  0.00  0.00    -0.221 N 
ATOM      3  H   LIG    1       -0.400  -1.846   1.597  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1       -1.041  -1.241  -1.459  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.027  -0.250  -1.442  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.870  -1.006  -0.607  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.307  -1.942   0.280  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.926  -2.130   0.337  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.090  -1.372  -0.487  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        1.644  -0.442  -1.380  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.835   1.397  -3.159  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.653   0.646  -2.268  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.370  -0.821  -0.619  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.800   0.066   0.454  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.227  -0.448   1.629  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.557   0.631   2.343  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.357   1.829   1.633  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.872   1.431   0.410  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.566  -1.852   1.016  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -3.090  -2.900   0.169  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.595  -1.907   2.555  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -3.566  -1.979   2.865  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1       -3.219  -0.270   0.559  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1       -4.500  -0.153  -0.001  0.00  0.00    +0.145 A 
ATOM     25  C   LIG    1       -5.037   1.115  -0.298  0.00  0.00    -0.007 A 
ATOM     26  C   LIG    1       -6.425   1.286  -0.849  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -4.240   2.252  -0.109  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -2.961   2.139   0.434  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -2.464   0.887   0.805  0.00  0.00    +0.142 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.296  -1.256  -0.171  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -5.219  -1.734  -1.520  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  29  32
ATOM     32  O   LIG    1       -1.215   0.802   1.365  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1       -1.147   1.478   2.623  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 8