REMARK  Name = BDB036917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.008  -1.593   0.792  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.407  -0.408   0.005  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.857  -0.282  -0.308  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.362  -1.450  -1.161  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -1.646  -2.139  -1.886  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.715  -1.697  -1.111  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.041  -2.468  -1.677  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.649  -1.123  -0.286  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.815  -1.502  -0.288  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.172   0.023   0.571  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.709  -0.146   0.954  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        0.376   1.045   0.410  0.00  0.00    +0.080 S 
ATOM     13  O   LIG    1        0.144   1.310   1.814  0.00  0.00    -0.151 OA
ATOM     14  O   LIG    1        0.032   2.028  -0.599  0.00  0.00    -0.151 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.106   0.853   0.273  0.00  0.00    +0.211 A 
ATOM     16  N   LIG    1        2.799  -0.244   0.766  0.00  0.00    -0.216 NA
ATOM     17  C   LIG    1        4.060  -0.012   0.475  0.00  0.00    +0.201 A 
ATOM     18  N   LIG    1        4.213   1.178  -0.178  0.00  0.00    -0.338 N 
ATOM     19  C   LIG    1        5.466   1.723  -0.634  0.00  0.00    +0.150 C 
ATOM     20  C   LIG    1        2.981   1.747  -0.316  0.00  0.00    +0.135 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3