REMARK  Name = BDB047782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.987  -1.728  -1.506  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -2.373  -0.395   0.394  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -2.472   0.900   0.921  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -2.331   2.070   0.199  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.511   3.100   1.162  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -2.735   2.583   2.383  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -2.073   1.980  -1.177  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.964   0.707  -1.756  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -2.717   1.210   2.223  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.094  -0.460  -0.991  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -2.455   4.571   0.942  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -1.241   5.089   1.270  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -3.383   5.254   1.664  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -2.671   4.904  -0.361  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -2.554  -1.622   1.252  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.772  -2.449   0.298  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.021  -1.962   1.529  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -1.268  -1.930  -2.724  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.235  -1.720  -2.552  0.00  0.00    +0.064 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.810  -2.595  -1.440  0.00  0.00    +0.149 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.179  -2.236  -1.140  0.00  0.00    -0.244 N 
ATOM     22  C   LIG    1        2.624  -1.300  -0.245  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1        4.002  -1.342  -0.416  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1        4.818  -0.490   0.342  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        4.217   0.389   1.264  0.00  0.00    -0.035 A 
ATOM     26  C   LIG    1        2.819   0.406   1.405  0.00  0.00    +0.006 A 
ATOM     27  N   LIG    1        4.321  -2.275  -1.367  0.00  0.00    -0.129 NA
ATOM     28  C   LIG    1        1.991  -0.437   0.654  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1        3.192  -2.817  -1.809  0.00  0.00    -0.065 NA
BRANCH  25  30
ATOM     30  C   LIG    1        5.074   1.331   2.080  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.148   2.730   1.519  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1        4.534   3.201   0.576  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        6.010   3.503   2.214  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1        5.964   4.372   1.762  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11