REMARK  Name = BDB033459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.092   0.862  -2.646  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.711   0.757  -3.450  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.030   2.122   2.163  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.275   1.712   0.925  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.375   0.419   0.344  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.626   0.130  -0.807  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -2.892  -1.182  -1.143  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -2.412  -1.682  -1.885  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.790  -1.731  -0.271  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.782   1.070  -1.414  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.711   2.340  -0.845  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.111  -0.768   0.659  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.431   2.654   0.304  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.021  -0.972   1.743  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -5.761  -1.139   2.622  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.130  -0.310  -2.696  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -0.472  -1.586  -2.350  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.793  -0.150  -3.975  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.364   0.030  -1.461  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.569  -1.159  -1.206  0.00  0.00    -0.044 S 
ATOM     21  C   LIG    1        3.268  -0.163  -0.013  0.00  0.00    +0.070 A 
ATOM     22  C   LIG    1        2.552   1.005   0.115  0.00  0.00    +0.132 A 
ATOM     23  N   LIG    1        1.457   1.121  -0.721  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  P   LIG    1        4.673  -0.523   0.926  0.00  0.00    +0.118 P 
ATOM     25  O   LIG    1        5.020   0.578   1.889  0.00  0.00    -0.316 OA
ATOM     26  C   LIG    1        5.991  -0.853  -0.229  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1        4.355  -2.071   1.752  0.00  0.00    +0.086 C 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5