REMARK  Name = BDB033407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.510  -0.172   2.365  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.569   0.827   2.546  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.552  -1.974  -1.328  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.492  -1.449  -0.395  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.932  -0.146  -0.506  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -0.949   0.252   0.411  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.568   1.532   0.068  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.173   2.050   0.524  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.273   1.968  -1.019  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.499  -0.581   1.445  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.043  -1.862   1.531  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.129   0.957  -1.396  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.019  -2.287   0.634  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.030   1.040  -2.504  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.758   1.108  -3.405  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        2.066  -0.808   2.138  0.00  0.00    +0.090 S 
ATOM     17  O   LIG    1        2.924  -0.190   3.127  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        2.015  -2.241   1.950  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.696  -0.179   0.627  0.00  0.00    +0.204 A 
ATOM     20  N   LIG    1        2.346   1.096   0.166  0.00  0.00    -0.215 NA
ATOM     21  C   LIG    1        2.954   1.334  -0.989  0.00  0.00    +0.183 A 
ATOM     22  S   LIG    1        3.972   0.056  -1.552  0.00  0.00    -0.070 S 
ATOM     23  C   LIG    1        3.572  -0.879  -0.175  0.00  0.00    +0.096 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.829   2.585  -1.819  0.00  0.00    +0.441 C 
ATOM     25  F   LIG    1        2.458   2.325  -3.100  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        3.991   3.286  -1.876  0.00  0.00    -0.164 F 
ATOM     27  F   LIG    1        1.889   3.431  -1.312  0.00  0.00    -0.164 F 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5