REMARK  Name = BDB036909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.049  -0.368  -1.354  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.097  -0.012   0.080  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.491   0.340   0.501  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.313   1.195  -0.461  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -1.847   1.833  -1.401  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.670   1.215  -0.229  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.205   1.769  -0.885  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.395   0.273   0.455  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.613   0.197   0.331  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.617  -0.633   1.378  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.248  -0.957   0.800  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        1.080   1.075   0.682  0.00  0.00    +0.063 S 
ATOM     13  O   LIG    1        0.902   1.157   2.116  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        1.058   2.266  -0.137  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.591   0.229   0.390  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1        2.914  -0.856   1.185  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        4.057  -1.568   1.032  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        4.907  -1.157   0.063  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        4.668  -0.070  -0.765  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        3.483   0.641  -0.597  0.00  0.00    +0.031 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3