REMARK  Name = BDB032919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.088   0.371  -0.083  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1        1.007   0.587   0.963  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        0.521   0.666   2.277  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -0.842   0.530   2.549  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.766   0.284   1.529  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -1.284   0.244   0.215  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.497   0.753   0.790  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1        2.958   0.796  -0.503  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        2.288   0.698  -1.257  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        3.192   0.841   1.798  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.248   0.952  -0.934  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        5.571   1.152   0.125  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1        6.603   1.262  -1.216  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1        5.896   1.141  -2.386  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        4.533   0.960  -2.219  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        8.010   1.457  -1.080  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1        8.485   1.551   0.058  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        8.656   1.520  -2.135  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   5  19
ATOM     19  N   LIG    1       -3.122   0.232   1.869  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1       -3.240  -0.064   2.838  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.113  -0.396   0.981  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -4.072  -1.920   1.060  0.00  0.00    +0.182 C 
ATOM     23  O   LIG    1       -4.910  -2.314   2.161  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1       -5.716  -1.192   2.543  0.00  0.00    +0.162 C 
ATOM     25  C   LIG    1       -5.508  -0.111   1.502  0.00  0.00    +0.052 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   1  26
ATOM     26  O   LIG    1        0.585   0.315  -1.362  0.00  0.00    -0.491 OA
BRANCH  26  28
ATOM     27  C   LIG    1        0.537  -0.217  -3.682  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -0.292  -0.084  -2.417  0.00  0.00    +0.226 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 7