REMARK  Name = BDB055590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.154   0.083  -0.190  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.636   0.626   0.994  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.392   0.218   1.486  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.367  -0.730   0.800  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.143  -1.295  -0.367  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.390  -0.886  -0.858  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.671   0.319  -0.022  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -3.459   0.518  -0.723  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -3.505   1.157  -1.978  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.712   1.590  -2.525  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.897   1.393  -1.825  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.878   0.762  -0.580  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.780  -0.642   1.867  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.574  -0.316   1.191  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  O   LIG    1        1.562  -1.041   1.384  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.594  -1.564   0.545  0.00  0.00    +0.285 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.563  -3.092   0.433  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        1.959  -3.849   1.177  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.292  -3.561  -0.615  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        3.718  -2.870  -1.159  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1        3.943  -1.170   1.179  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.497   0.106   0.583  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        3.841   1.329   0.782  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.343   2.502   0.218  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.507   2.467  -0.546  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.173   1.259  -0.744  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.672   0.083  -0.182  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 8