REMARK  Name = BDB031662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.646  -0.733  -0.883  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.157  -0.528  -0.777  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.560   0.387   0.134  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.163   0.501   0.164  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        0.150   1.441   1.126  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        1.098   1.690   1.394  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -0.989   1.935   1.700  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        0.673  -0.258  -0.668  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        0.076  -1.126  -1.579  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.063   1.304   1.111  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -1.308  -1.269  -1.625  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        2.093  -0.077  -0.741  0.00  0.00    -0.219 N 
ATOM     13  H   LIG    1        2.312   0.855  -1.098  0.00  0.00    +0.173 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.939  -0.331   0.707  0.00  0.00    +0.040 S 
ATOM     15  O   LIG    1        2.407  -1.488   1.389  0.00  0.00    -0.155 OA
ATOM     16  O   LIG    1        3.005   0.966   1.351  0.00  0.00    -0.155 OA
ATOM     17  C   LIG    1        4.549  -0.748   0.076  0.00  0.00    +0.218 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  18
ATOM     18  C   LIG    1       -3.428   1.557   1.453  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -4.537   1.767   1.726  0.00  0.00    -0.191 NA
ENDBRANCH  10  18
TORSDOF 3