REMARK  Name = BDB047855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.184  -1.046  -0.489  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.128  -1.878   0.643  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.185  -1.622   1.659  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -0.882  -2.252   2.896  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.147  -1.552   3.483  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        0.495  -0.525   2.639  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1       -0.317  -0.537   1.520  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.355   0.304   0.397  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -1.299   0.031  -0.599  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -3.206  -1.307  -1.570  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.406  -0.349  -1.543  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.251  -0.665  -0.308  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1       -6.058  -1.572  -0.174  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -5.034   0.198   0.708  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -5.602  -0.140   1.431  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1       -5.131  -0.566  -2.761  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -7.065   0.908  -2.438  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -5.827   0.577  -3.251  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1        1.538   0.455   2.922  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.703   0.314   2.009  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1        3.453  -0.798   1.682  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        3.417  -2.225   2.049  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.422  -0.409   0.801  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.216   0.935   0.634  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.210   1.414   1.342  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.119   1.634  -0.276  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.143   0.964  -0.968  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        6.992   1.660  -1.833  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.821   3.028  -2.010  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1        7.635   3.693  -2.839  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.817   3.714  -1.339  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        4.968   3.018  -0.474  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 9