REMARK  Name = BDB055061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331  -0.711  -0.960  0.00  0.00    +0.133 C 
ATOM      2  O   LIG    1        0.350   0.742  -0.891  0.00  0.00    -0.481 OA
ATOM      3  C   LIG    1        1.629   1.133  -0.483  0.00  0.00    +0.132 C 
ATOM      4  C   LIG    1        1.851   2.434  -0.267  0.00  0.00    +0.137 C 
ATOM      5  C   LIG    1        2.482  -0.023  -0.368  0.00  0.00    -0.006 C 
ATOM      6  C   LIG    1        1.739  -1.102  -0.624  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.101   3.025   0.211  0.00  0.00    +0.335 C 
ATOM      8  O   LIG    1        3.882   3.635  -0.499  0.00  0.00    -0.246 OA
BRANCH   7   9
ATOM      9  O   LIG    1        3.186   2.851   1.553  0.00  0.00    -0.465 OA
ATOM     10  C   LIG    1        4.342   3.449   2.138  0.00  0.00    +0.280 C 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   5  11
ATOM     11  C   LIG    1        3.937  -0.063  -0.028  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        4.823   0.275  -1.219  0.00  0.00    +0.009 C 
ENDBRANCH   5  11
BRANCH   1  13
ATOM     13  C   LIG    1       -0.040  -1.088  -2.409  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1        0.054  -2.572  -2.742  0.00  0.00    +0.008 C 
ENDBRANCH   1  13
BRANCH   1  15
ATOM     15  C   LIG    1       -0.649  -1.248   0.122  0.00  0.00    +0.082 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.111  -0.817   0.001  0.00  0.00    -0.069 C 
ATOM     17  C   LIG    1       -2.488   0.394   0.465  0.00  0.00    -0.020 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -3.522  -2.869   0.383  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1       -3.060  -1.819  -0.617  0.00  0.00    +0.027 C 
ENDBRANCH  16  19
BRANCH  17  20
ATOM     20  C   LIG    1       -3.862   0.995   0.485  0.00  0.00    +0.101 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.232   1.362   1.913  0.00  0.00    +0.134 C 
ATOM     22  O   LIG    1       -4.056   2.498   2.355  0.00  0.00    -0.297 OA
ATOM     23  C   LIG    1       -4.772   0.259   2.786  0.00  0.00    +0.086 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9