REMARK  Name = BDB061153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.270  -1.067  -1.169  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.407   0.150  -0.493  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.564   0.445   0.250  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.621   1.748   0.994  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -3.628  -0.471   0.248  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -3.485  -1.724  -0.371  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -4.550  -2.780  -0.312  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -2.316  -1.993  -1.103  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1        5.222  -0.117   0.203  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        3.842  -0.059   0.447  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1        2.991  -0.554  -0.518  0.00  0.00    +0.143 A 
ATOM     12  O   LIG    1        1.618  -0.575  -0.442  0.00  0.00    -0.451 OA
ATOM     13  C   LIG    1        1.183  -1.155  -1.628  0.00  0.00    +0.176 C 
ATOM     14  C   LIG    1        2.338  -1.522  -2.491  0.00  0.00    +0.231 C 
ATOM     15  O   LIG    1        2.345  -2.044  -3.584  0.00  0.00    -0.283 OA
ATOM     16  C   LIG    1       -0.089  -1.389  -1.978  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1        3.484  -1.096  -1.699  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        4.834  -1.170  -1.971  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        5.712  -0.670  -1.000  0.00  0.00    +0.046 A 
BRANCH   9  20
ATOM     20  O   LIG    1        5.990   0.396   1.213  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        7.406   0.392   1.030  0.00  0.00    +0.229 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.686   2.475   2.444  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        8.064   1.013   2.260  0.00  0.00    +0.038 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   9  20
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  O   LIG    1       -4.781  -0.187   0.932  0.00  0.00    -0.475 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -5.775   0.548   0.195  0.00  0.00    +0.200 C 
ATOM     26  C   LIG    1       -7.036  -0.336   0.125  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1       -6.152   1.760   1.070  0.00  0.00    +0.067 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.450   1.077  -1.228  0.00  0.00    +0.348 C 
ATOM     29  O   LIG    1       -5.105   2.212  -1.524  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.558   0.145  -2.200  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -5.247   0.610  -3.005  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 8