REMARK  Name = BDB033426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.618   2.669   0.349  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        0.146   3.574   0.324  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -2.029  -1.186  -3.041  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.388  -0.207  -2.092  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.947   0.135  -0.830  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.276   1.057  -0.012  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -2.030   1.201   1.135  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.746   1.764   1.933  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.147   0.416   1.081  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.064   1.653  -0.387  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        0.447   1.342  -1.648  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.129  -0.255  -0.121  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -0.190   0.423  -2.477  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.140  -1.175  -0.542  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -4.958  -1.923  -0.888  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.129   2.336   1.933  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -0.061   2.127   2.737  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        2.069   3.384   2.277  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.034   0.803   1.974  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.920   0.446   3.391  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        3.399  -1.046   2.694  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        2.844  -1.189   1.434  0.00  0.00    +0.134 A 
ATOM     23  N   LIG    1        2.056  -0.111   1.022  0.00  0.00    -0.216 NA
BRANCH  22  24
ATOM     24  C   LIG    1        3.035  -2.362   0.580  0.00  0.00    +0.260 C 
ATOM     25  O   LIG    1        3.723  -3.328   0.882  0.00  0.00    -0.269 OA
ATOM     26  N   LIG    1        2.356  -2.296  -0.604  0.00  0.00    -0.324 N 
ATOM     27  H   LIG    1        2.365  -3.095  -1.219  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        1.728  -1.519  -0.779  0.00  0.00    +0.145 HD
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5