REMARK  Name = BDB063325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.277  -0.658   0.307  0.00  0.00    +0.165 C 
ATOM      2  N   LIG    1       -0.175  -0.459   0.180  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.673   0.801  -0.091  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        0.117   1.728  -0.308  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.884  -1.728   0.307  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1        0.185  -2.754   0.658  0.00  0.00    +0.186 C 
ATOM      7  F   LIG    1        0.301  -2.854   2.009  0.00  0.00    -0.244 F 
ATOM      8  C   LIG    1        1.466  -2.162   0.099  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.222   1.052  -0.105  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1       -2.493   2.544  -0.512  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -2.363   3.514   0.661  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.393   3.228   1.749  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -3.852   1.774   1.769  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -2.734   0.819   1.353  0.00  0.00    +0.021 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -2.899   0.203  -1.206  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1       -2.335   0.167  -2.501  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -2.916  -0.579  -3.529  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -4.079  -1.293  -3.278  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -4.669  -1.264  -2.023  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.088  -0.515  -0.995  0.00  0.00    +0.008 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -4.682  -2.035  -4.249  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1       -4.189  -1.921  -5.077  0.00  0.00    +0.292 HD
ENDBRANCH  18  21
ENDBRANCH   9  15
ENDBRANCH   3   9
BRANCH   1  24
ATOM     23  O   LIG    1        0.966   0.073   2.616  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1        1.758  -0.197   1.703  0.00  0.00    +0.239 C 
ATOM     25  N   LIG    1        3.086  -0.092   2.002  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        3.229   0.216   2.954  0.00  0.00    +0.156 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.215  -0.277   1.199  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        4.079  -0.661  -0.080  0.00  0.00    -0.229 NA
ATOM     29  C   LIG    1        5.231  -0.809  -0.774  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1        6.486  -0.594  -0.227  0.00  0.00    +0.084 A 
ATOM     31  N   LIG    1        7.368  -0.849  -1.241  0.00  0.00    -0.275 N 
ATOM     32  H   LIG    1        8.380  -0.792  -1.213  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1        6.784  -1.216  -2.399  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        6.643  -0.202   1.097  0.00  0.00    +0.032 A 
ATOM     35  C   LIG    1        5.477  -1.185  -2.108  0.00  0.00    +0.162 A 
ATOM     36  C   LIG    1        5.452  -0.045   1.811  0.00  0.00    +0.046 A 
ENDBRANCH  25  27
ENDBRANCH   1  24
TORSDOF 5