REMARK  Name = BDB014986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.186   0.087  -0.599  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.301   0.306   0.275  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        3.711  -0.931  -0.028  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.345  -1.057  -0.327  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.524   0.064  -0.327  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.084   1.304  -0.033  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        3.449   1.420   0.262  0.00  0.00    +0.027 A 
BRANCH   2  12
ATOM      8  O   LIG    1        9.124   1.761   2.138  0.00  0.00    -0.174 OA
ATOM      9  S   LIG    1        8.672   0.690   1.270  0.00  0.00    -0.028 S 
ATOM     10  C   LIG    1        7.801   1.423  -0.089  0.00  0.00    +0.184 C 
ATOM     11  C   LIG    1        6.364   1.680   0.307  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1        5.655   0.420   0.567  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1        6.377  -0.708   1.173  0.00  0.00    +0.128 C 
ATOM     14  C   LIG    1        7.429  -0.223   2.144  0.00  0.00    +0.184 C 
ATOM     15  O   LIG    1        9.620  -0.264   0.723  0.00  0.00    -0.174 OA
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.456  -1.175  -0.817  0.00  0.00    +0.261 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.956  -0.926  -1.052  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.098  -0.142  -2.246  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -1.514   0.632  -2.134  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.601  -0.196   0.153  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.072  -0.178   0.253  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.725   0.466  -0.899  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -6.236   0.506  -0.768  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.910  -0.407   0.063  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -8.308  -0.379   0.139  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -9.036   0.533  -0.626  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.373   1.425  -1.466  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.123  -1.367   0.920  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.980   1.410  -1.540  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.658  -1.504   0.476  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7