REMARK  Name = BDB053805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.008   0.579  -0.304  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        3.342  -0.523  -0.862  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        1.950  -0.515  -1.020  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1        1.209   0.612  -0.612  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        1.872   1.707  -0.053  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        3.260   1.689   0.104  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  O   LIG    1        1.226  -1.548  -1.565  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1        1.912  -2.762  -1.831  0.00  0.00    +0.277 C 
ENDBRANCH   3   7
BRANCH   1   9
ATOM      9  C   LIG    1        5.508   0.560  -0.120  0.00  0.00    +0.061 C 
BRANCH   9  11
ATOM     10  C   LIG    1        6.640   0.957   2.090  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        5.905   0.185   1.279  0.00  0.00    -0.030 C 
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  O   LIG    1       -0.148   0.541  -0.806  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -0.951   1.602  -0.297  0.00  0.00    +0.229 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.421   1.259  -0.552  0.00  0.00    +0.042 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.881   0.058   0.290  0.00  0.00    +0.021 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.323  -0.463   0.010  0.00  0.00    +0.062 C 
ATOM     17  C   LIG    1       -4.392  -1.075  -1.400  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -5.347   0.674   0.152  0.00  0.00    +0.022 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -4.647  -1.551   1.051  0.00  0.00    +0.310 C 
ATOM     20  O   LIG    1       -3.908  -1.877   1.969  0.00  0.00    -0.250 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.856  -2.140   0.899  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -6.386  -1.814   0.150  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 10