REMARK  Name = BDB065128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.636  -1.069   1.039  0.00  0.00    +0.106 C 
ATOM      2  C   LIG    1       -1.736   0.054   0.366  0.00  0.00    +0.010 C 
ATOM      3  C   LIG    1       -0.234  -0.336   0.642  0.00  0.00    +0.004 C 
ATOM      4  C   LIG    1        0.898   0.389  -0.231  0.00  0.00    -0.022 C 
ATOM      5  C   LIG    1        0.383   0.664  -1.698  0.00  0.00    -0.005 C 
ATOM      6  C   LIG    1       -0.827  -0.210  -2.055  0.00  0.00    +0.035 C 
ATOM      7  C   LIG    1        0.139   2.134  -2.070  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1        1.431   1.668   0.456  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1        0.068  -0.339   2.169  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -1.051  -0.913   3.039  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -2.067   1.446   0.969  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -2.050   0.033  -1.174  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1       -2.010  -1.785   2.254  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -4.040  -0.584   1.381  0.00  0.00    +0.311 C 
ATOM     15  O   LIG    1       -4.390  -0.174   2.480  0.00  0.00    -0.251 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -6.169  -0.178   0.501  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1       -4.846  -0.670   0.286  0.00  0.00    -0.468 OA
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH  12  18
ATOM     18  O   LIG    1       -2.712   1.226  -1.590  0.00  0.00    -0.391 OA
ATOM     19  H   LIG    1       -2.917   1.141  -2.537  0.00  0.00    +0.210 HD
ENDBRANCH  12  18
BRANCH   4  20
ATOM     20  C   LIG    1        2.106  -0.642  -0.324  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.495  -0.101  -0.727  0.00  0.00    +0.206 C 
ATOM     22  C   LIG    1        4.507  -1.175  -0.939  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.967  -1.153  -2.188  0.00  0.00    +0.096 C 
ATOM     24  C   LIG    1        4.287  -0.054  -2.868  0.00  0.00    +0.333 C 
ATOM     25  O   LIG    1        4.457   0.250  -4.033  0.00  0.00    -0.246 OA
ATOM     26  O   LIG    1        3.451   0.562  -1.993  0.00  0.00    -0.454 OA
BRANCH  22  27
ATOM     27  C   LIG    1        4.915  -2.105   0.142  0.00  0.00    +0.190 C 
BRANCH  27  28
ATOM     28  O   LIG    1        5.378  -1.347   1.245  0.00  0.00    -0.391 OA
ATOM     29  H   LIG    1        6.231  -0.955   0.988  0.00  0.00    +0.210 HD
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 7