REMARK  Name = BDB002877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.313   0.213  -0.089  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -3.037   1.079   0.970  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.732   1.542   1.156  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -0.689   1.136   0.307  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.004   0.308  -0.783  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.306  -0.163  -0.978  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -4.969  -0.371  -0.324  0.00  0.00    +0.056 S 
ATOM      8  O   LIG    1       -5.883   0.637   0.157  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -5.071  -0.948  -1.645  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -5.020  -1.674   0.742  0.00  0.00    -0.204 NA
ATOM     11  H   LIG    1       -5.149  -2.534   0.205  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -4.207  -1.726   1.355  0.00  0.00    +0.144 HD
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  13
ATOM     13  N   LIG    1        0.600   1.698   0.500  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        0.743   1.920   1.496  0.00  0.00    +0.170 HD
BRANCH  13  15
ATOM     15  N   LIG    1        1.649   0.880   0.033  0.00  0.00    -0.232 N 
ATOM     16  H   LIG    1        1.886   0.986  -0.949  0.00  0.00    +0.173 HD
ATOM     17  C   LIG    1        2.606   0.476   0.958  0.00  0.00    +0.268 C 
ATOM     18  O   LIG    1        2.417   0.681   2.161  0.00  0.00    -0.268 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.797  -0.160   0.409  0.00  0.00    +0.094 A 
ATOM     20  C   LIG    1        4.154  -0.495  -0.887  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        3.239  -0.242  -2.316  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        5.437  -1.115  -0.963  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.029  -1.241   0.271  0.00  0.00    +0.047 A 
ATOM     24  S   LIG    1        5.043  -0.617   1.514  0.00  0.00    -0.091 S 
ENDBRANCH  17  19
ENDBRANCH  13  15
ENDBRANCH   4  13
TORSDOF 5