REMARK  Name = BDB050267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.785  -0.851   0.528  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -3.072  -1.557  -0.447  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.766  -1.980  -0.194  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.150  -1.706   1.029  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.857  -1.005   2.004  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.167  -0.580   1.755  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -5.191  -0.374   0.255  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.252   0.887  -0.619  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.688   2.095   0.131  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -3.818   2.848  -0.281  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.280   2.340   1.318  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -4.852   3.165   1.629  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.621   1.083  -0.997  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.627   1.272  -3.417  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -6.800   1.985  -2.088  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.128  -2.178   1.142  0.00  0.00    -0.491 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.837  -1.864   2.341  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.262  -2.447   2.269  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.279  -1.731   1.483  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.587  -0.392   1.991  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.861   0.159   1.324  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        4.889  -0.071  -0.169  0.00  0.00    -0.005 C 
ATOM     23  C   LIG    1        3.999  -0.913  -0.734  0.00  0.00    -0.004 C 
ATOM     24  C   LIG    1        2.972  -1.681   0.049  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.906   0.658  -0.951  0.00  0.00    +0.155 A 
ATOM     26  N   LIG    1        6.783   1.423  -0.273  0.00  0.00    -0.236 NA
ATOM     27  C   LIG    1        7.703   2.076  -1.006  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        7.779   1.999  -2.375  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.839   1.196  -2.973  0.00  0.00    +0.114 A 
ATOM     30  N   LIG    1        5.897   0.519  -2.292  0.00  0.00    -0.236 NA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11