REMARK  Name = BDB050758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.401   0.875  -0.078  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -0.148   2.110  -0.662  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        0.886   2.865  -0.265  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -0.979   2.567  -1.675  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -0.735   3.747  -2.262  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -2.075   1.815  -2.099  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.367   0.585  -1.490  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -1.511   0.115  -0.481  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1       -0.121   0.155   2.094  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.438   0.373   1.022  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1        1.789   0.146   0.801  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        2.457   0.188  -0.508  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        3.660  -0.770  -0.612  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        4.595  -0.575   0.493  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1        4.111   0.012   1.741  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.613  -0.275   1.938  0.00  0.00    +0.127 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.947  -0.667   0.275  0.00  0.00    +0.218 A 
ATOM     18  N   LIG    1        6.789  -0.266   1.245  0.00  0.00    -0.222 NA
ATOM     19  C   LIG    1        8.116  -0.377   1.017  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1        8.643  -0.876  -0.145  0.00  0.00    +0.054 A 
ATOM     21 BR   LIG    1       10.491  -1.019  -0.433  0.00  0.00    -0.047 Br
ATOM     22  C   LIG    1        7.720  -1.262  -1.081  0.00  0.00    +0.131 A 
ATOM     23  N   LIG    1        6.385  -1.167  -0.895  0.00  0.00    -0.222 NA
ENDBRANCH  14  17
ENDBRANCH   1  10
BRANCH   7  24
ATOM     24  C   LIG    1       -3.549  -0.230  -1.968  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.333  -0.907  -0.851  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.254  -0.112   0.002  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.933  -0.793   1.010  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -6.817  -0.117   1.859  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.021   1.252   1.697  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.346   1.940   0.690  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.713  -2.239   1.174  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -6.298  -2.882   2.039  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.825  -2.818   0.301  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -4.658  -3.814   0.404  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -5.464   1.263  -0.159  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -4.145  -2.184  -0.691  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 4