REMARK  Name = BDB033400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.496  -1.120   2.190  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -0.290  -1.921   1.593  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.553   2.519   0.281  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.471   1.565   0.715  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.594   0.915  -0.196  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.614   0.045   0.306  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.881  -0.410  -0.769  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.052  -0.991  -0.689  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.383   0.097  -1.936  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.482  -0.231   1.672  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.325   0.437   2.558  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.438   0.923  -1.617  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.302   1.313   2.091  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.204   1.652  -2.580  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.821   2.243  -3.366  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.974  -0.421   2.677  0.00  0.00    +0.091 S 
ATOM     17  O   LIG    1        0.770   0.910   3.205  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.713  -1.434   3.402  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.939  -0.195   1.235  0.00  0.00    +0.215 A 
ATOM     20  N   LIG    1        1.817  -0.997   0.102  0.00  0.00    -0.213 NA
ATOM     21  C   LIG    1        2.787  -0.602  -0.704  0.00  0.00    +0.112 A 
ATOM     22  N   LIG    1        3.463   0.472  -0.170  0.00  0.00    -0.346 N 
ATOM     23  H   LIG    1        4.245   0.950  -0.600  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        2.943   0.733   1.065  0.00  0.00    +0.133 A 
BRANCH  21  25
ATOM     25  C   LIG    1        3.189  -1.212  -2.016  0.00  0.00    +0.049 C 
ATOM     26  C   LIG    1        2.043  -1.159  -3.021  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        3.661  -2.651  -1.810  0.00  0.00    +0.015 C 
ENDBRANCH  21  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5