REMARK  Name = BDB033800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.787  -1.217  -0.392  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1        2.217  -0.875  -1.618  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.834  -0.988  -1.794  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.003  -1.429  -0.757  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.608  -1.808   0.455  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.990  -1.706   0.642  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        4.543  -1.085  -0.165  0.00  0.00    +0.059 S 
ATOM      8  O   LIG    1        4.934  -1.968   0.910  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        5.165  -1.153  -1.469  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1        4.700   0.499   0.353  0.00  0.00    -0.187 NA
ATOM     11  H   LIG    1        5.414   1.025  -0.157  0.00  0.00    +0.148 HD
BRANCH  10  16
ATOM     12  C   LIG    1        7.166   4.165   1.708  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1        6.327   2.970   1.627  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1        4.912   3.333   1.464  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1        3.937   2.230   1.896  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1        4.534   0.828   1.781  0.00  0.00    +0.079 C 
ATOM     17  C   LIG    1        5.883   0.728   2.508  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1        6.528   2.091   2.777  0.00  0.00    +0.085 C 
ENDBRANCH  10  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  N   LIG    1       -1.384  -1.577  -0.877  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -1.903  -1.623  -0.012  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.280  -1.390  -1.925  0.00  0.00    +0.223 A 
ATOM     22  N   LIG    1       -3.568  -1.317  -1.558  0.00  0.00    -0.178 NA
ATOM     23  C   LIG    1       -4.484  -1.135  -2.534  0.00  0.00    +0.238 A 
ATOM     24  C   LIG    1       -4.166  -1.052  -3.871  0.00  0.00    +0.120 A 
ATOM     25 CL   LIG    1       -5.316  -0.829  -5.120  0.00  0.00    -0.076 Cl
ATOM     26  C   LIG    1       -2.826  -1.149  -4.146  0.00  0.00    +0.139 A 
ATOM     27  N   LIG    1       -1.875  -1.316  -3.202  0.00  0.00    -0.221 NA
BRANCH  23  28
ATOM     28  O   LIG    1       -5.819  -1.061  -2.184  0.00  0.00    -0.469 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -6.059  -0.748  -0.805  0.00  0.00    +0.204 C 
ATOM     30  C   LIG    1       -7.436  -0.083  -0.698  0.00  0.00    +0.155 C 
ATOM     31  C   LIG    1       -8.405  -1.255  -0.784  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1       -7.705  -2.402  -0.057  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -6.223  -2.031   0.018  0.00  0.00    +0.047 C 
BRANCH  30  34
ATOM     34  O   LIG    1       -7.573   0.568   0.564  0.00  0.00    -0.388 OA
ATOM     35  H   LIG    1       -8.450   0.990   0.580  0.00  0.00    +0.210 HD
ENDBRANCH  30  34
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 8