REMARK  Name = BDB033422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.864  -2.536  -1.400  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.467  -3.087  -2.011  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.804  -0.367   3.072  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.055  -0.862   1.862  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.252  -0.337   0.555  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.502  -0.861  -0.509  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -2.877  -0.172  -1.644  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -2.430  -0.288  -2.549  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.838   0.754  -1.351  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.563  -1.888  -0.338  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.403  -2.412   0.944  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.095   0.677  -0.000  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.121  -1.904   2.023  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.045   1.498   0.684  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -5.816   2.165   1.240  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.227  -1.628  -2.325  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -0.520  -0.549  -2.946  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.946  -2.579  -3.150  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.446  -0.874  -1.273  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.502   0.261  -1.990  0.00  0.00    -0.047 S 
ATOM     21  C   LIG    1        3.277   0.494  -0.469  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        2.669  -0.327   0.468  0.00  0.00    +0.129 A 
ATOM     23  N   LIG    1        1.627  -1.110   0.013  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.405   1.415  -0.316  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.467   1.105   0.525  0.00  0.00    +0.144 A 
ATOM     26  N   LIG    1        6.527   1.921   0.717  0.00  0.00    -0.157 NA
ATOM     27  N   LIG    1        6.577   3.108   0.064  0.00  0.00    -0.158 NA
ATOM     28  C   LIG    1        5.569   3.451  -0.762  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1        4.471   2.640  -0.978  0.00  0.00    +0.032 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5