REMARK  Name = BDB063595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.842   2.586  -0.337  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.737   1.157   0.111  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.633   0.163  -0.317  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.421  -1.182   0.029  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.279  -2.296  -0.498  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.388  -1.501   0.923  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.539  -0.511   1.433  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1       -0.713   0.810   1.006  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -3.662   0.485  -1.164  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.880   0.908  -0.526  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -5.981  -0.086  -0.944  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.258   2.259  -1.166  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.923   1.092   1.016  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -4.804   2.142   1.631  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.095  -0.059   1.703  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.023   0.218   2.641  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        0.590  -0.874   2.369  0.00  0.00    +0.153 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.798  -1.189   1.644  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        2.755  -0.270   1.302  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.711   0.911   1.614  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        3.752  -0.933   0.566  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        3.423  -2.334   0.425  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        2.116  -2.425   1.175  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        1.472  -3.455   1.325  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.930  -0.368   0.006  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.833  -1.173  -0.709  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        7.001  -0.638  -1.270  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.291   0.719  -1.127  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        6.407   1.532  -0.421  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.239   0.992   0.138  0.00  0.00    +0.025 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.485   1.269  -1.699  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1        9.454   1.708  -2.163  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 8