REMARK  Name = BDB002915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059  -0.398  -0.019  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.564  -1.930   0.488  0.00  0.00    -0.056 S 
ATOM      3  C   LIG    1        2.105  -1.324   0.264  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        3.479  -1.867   0.427  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        4.279  -0.636   0.009  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1        3.404   0.432  -0.333  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        3.876   1.657  -0.745  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        5.264   1.814  -0.813  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        6.149   0.764  -0.477  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        5.654  -0.477  -0.060  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.057  -0.024  -0.166  0.00  0.00    +0.084 A 
ATOM     12  N   LIG    1        0.829   0.531  -0.332  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.439  -1.000   0.145  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1       -1.402  -0.126  -0.080  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1       -1.589   0.814  -0.398  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -2.365  -2.199   0.385  0.00  0.00    -0.270 OA
BRANCH  13  20
ATOM     17  C   LIG    1       -6.393   0.661  -0.195  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -6.139  -0.660  -0.564  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -4.847  -1.187  -0.444  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -3.798  -0.393   0.036  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -4.055   0.927   0.423  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -5.347   1.446   0.300  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -8.703   0.536  -0.740  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -7.601   1.297  -0.261  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  13  20
ENDBRANCH   1  14
BRANCH   9  25
ATOM     25  O   LIG    1        7.474   1.092  -0.601  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        8.421   0.081  -0.280  0.00  0.00    +0.277 C 
ENDBRANCH   9  25
TORSDOF 4