REMARK  Name = BDB014520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.485  -1.312  -0.547  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1        1.331   0.059  -0.538  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.953   0.614   0.054  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.661  -2.074  -1.053  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.541  -1.665   1.673  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1        2.743  -1.827   0.166  0.00  0.00    +0.256 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.830  -1.056  -0.371  0.00  0.00    -0.478 OA
BRANCH   7   8
ATOM      8  C   LIG    1        5.043  -1.194   0.231  0.00  0.00    +0.146 A 
ATOM      9  C   LIG    1        5.763  -0.037   0.542  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1        7.019  -0.122   1.154  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        7.569  -1.375   1.424  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.870  -2.533   1.082  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.612  -2.444   0.481  0.00  0.00    +0.047 A 
BRANCH   9  14
ATOM     14  S   LIG    1        5.072   1.562   0.192  0.00  0.00    -0.002 S 
ATOM     15  O   LIG    1        6.006   2.559   0.685  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1        3.691   1.567   0.645  0.00  0.00    -0.170 OA
ATOM     17  C   LIG    1        5.088   1.661  -1.580  0.00  0.00    +0.200 C 
ENDBRANCH   9  14
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  18
ATOM     18  C   LIG    1        0.109   0.691  -1.001  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.033   0.564   0.018  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.707   1.320   1.196  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.568   1.484   1.631  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.354   1.111  -0.567  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.438   1.136   0.445  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.583   1.946  -0.023  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.688   1.159  -0.685  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.092  -0.039  -0.073  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.168  -0.764  -0.585  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.833  -0.302  -1.720  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.431   0.885  -2.336  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.312  -0.473   1.139  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.365   1.621  -1.817  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.816  -0.237   0.867  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9