REMARK  Name = BDB065213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.411  -0.111   0.496  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.789  -0.604  -0.649  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.561  -0.328  -0.874  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.302   0.426   0.051  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        0.660   0.893   1.210  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.689   0.617   1.437  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.724   0.716  -0.187  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1        3.765  -0.155   0.247  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        5.112   0.196  -0.026  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        6.156  -0.647   0.391  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.892  -1.833   1.075  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.580  -2.192   1.351  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.400   1.385  -0.712  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.379   2.233  -1.131  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.531  -1.365   0.943  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.054   1.901  -0.871  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1       -2.722  -0.400   0.755  0.00  0.00    -0.477 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -3.616   0.401  -0.032  0.00  0.00    +0.284 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.569  -0.940   0.946  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -4.892  -0.423  -0.329  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -4.569  -1.607  -1.246  0.00  0.00    +0.011 C 
ENDBRANCH  18  20
BRANCH  18  22
ATOM     22  C   LIG    1       -3.980   1.707   0.681  0.00  0.00    +0.346 C 
ATOM     23  O   LIG    1       -3.690   2.048   1.817  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.697   2.545  -0.102  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -4.842   3.328   0.471  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6