REMARK  Name = BDB017738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.806   1.593  -0.623  0.00  0.00    -0.237 N 
ATOM      2  C   LIG    1       -0.696   0.789  -0.272  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.041  -0.544  -0.557  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.190  -1.611  -0.329  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.068  -1.333   0.203  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.435  -0.003   0.475  0.00  0.00    +0.107 A 
ATOM      7  N   LIG    1       -2.335  -0.562  -1.086  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1        0.555   1.070   0.249  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.839   0.756  -1.132  0.00  0.00    +0.337 A 
ATOM     10  O   LIG    1       -3.956   1.047  -1.533  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.547   6.701   0.246  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -1.911   5.314  -0.132  0.00  0.00    +0.101 A 
ATOM     13  S   LIG    1       -0.847   4.008   0.165  0.00  0.00    -0.033 S 
ATOM     14  C   LIG    1       -2.010   2.956  -0.527  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1       -3.089   3.599  -0.929  0.00  0.00    -0.123 NA
ATOM     16  N   LIG    1       -3.035   4.960  -0.708  0.00  0.00    -0.145 NA
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  S   LIG    1        3.044   0.316   1.168  0.00  0.00    +0.059 S 
ATOM     18  O   LIG    1        3.391  -0.808   2.008  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        3.053   1.675   1.666  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        3.994   0.331  -0.242  0.00  0.00    -0.184 NA
ATOM     21  H   LIG    1        4.202   1.308  -0.460  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.217  -0.508  -0.221  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        6.358  -0.171   0.708  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        6.498   0.094  -0.761  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        4.961  -1.957  -0.555  0.00  0.00    +0.029 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   6  17
BRANCH   7  26
ATOM     26  C   LIG    1       -3.094  -1.731  -1.460  0.00  0.00    +0.162 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.712  -2.433  -0.271  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1       -4.710  -1.798   0.488  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -5.280  -2.441   1.588  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -4.859  -3.720   1.927  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1       -5.407  -4.338   2.982  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -3.880  -4.371   1.186  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -3.308  -3.730   0.086  0.00  0.00    +0.008 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6