REMARK  Name = BDB047568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.554   0.122  -0.137  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.310  -0.482   0.476  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.167  -0.059  -0.217  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.887  -0.433   0.175  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.746  -1.264   1.286  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.890  -1.685   1.984  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.527   0.842  -1.356  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.175  -1.293   1.590  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.005   0.487  -1.541  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.803  -0.781  -0.207  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.455   1.125  -0.805  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.929  -0.267  -1.129  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.401  -1.151   1.142  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.791  -2.281   1.403  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.523  -0.148   2.034  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.224   0.729   1.737  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.430  -1.726   1.808  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.652  -1.407   1.138  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.206  -0.072   1.629  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.388   0.366   0.846  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.534   1.454   0.010  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.660   2.557  -0.422  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.808   1.436  -0.482  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.378   0.325   0.086  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.566  -0.345   0.882  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.768   0.043  -0.263  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.405  -1.082   0.289  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        8.734  -1.378  -0.026  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        9.431  -0.550  -0.895  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1       10.705  -0.833  -1.199  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        8.826   0.568  -1.456  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        7.497   0.864  -1.140  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9