REMARK  Name = BDB033395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.068   1.779   2.885  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.541   2.411   3.535  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.510   1.521  -2.344  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.901   1.534  -0.967  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.406   0.367  -0.323  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.853   0.487   0.956  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.484  -0.775   1.369  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.083  -0.977   2.277  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.729  -1.688   0.382  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.747   1.710   1.626  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.227   2.851   0.988  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.301  -1.016  -0.677  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.797   2.763  -0.281  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.697  -1.638  -1.902  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.007  -2.146  -2.899  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.550   2.362   2.788  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.481   3.741   2.350  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.171   2.028   4.054  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.423   1.452   1.524  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        1.996  -0.109   1.923  0.00  0.00    -0.047 S 
ATOM     21  C   LIG    1        2.490  -0.340   0.291  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        2.201   0.808  -0.429  0.00  0.00    +0.129 A 
ATOM     23  N   LIG    1        1.590   1.829   0.270  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.071  -1.604  -0.162  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        3.986  -2.329   0.600  0.00  0.00    +0.119 A 
ATOM     26  N   LIG    1        4.545  -3.504   0.218  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        4.183  -3.985  -0.988  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        3.288  -3.347  -1.829  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        2.729  -2.141  -1.409  0.00  0.00    +0.012 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5