REMARK  Name = BDB053856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.674   0.391  -2.254  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.493  -0.217  -1.192  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        0.555  -1.128  -1.035  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.418   0.041   0.004  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.731   0.767  -0.407  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1       -2.500   2.265  -0.728  0.00  0.00    +0.055 C 
ATOM      7  C   LIG    1       -1.258   2.853  -0.058  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1       -1.007   2.235   1.235  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1       -0.255   2.726   1.722  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -0.651   0.817   1.095  0.00  0.00    +0.096 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.808   0.502   0.671  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -4.508  -0.726   0.669  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.467  -1.008   1.638  0.00  0.00    +0.159 A 
ATOM     14  F   LIG    1       -6.109  -2.185   1.605  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1       -5.751  -0.085   2.631  0.00  0.00    +0.158 A 
ATOM     16  F   LIG    1       -6.670  -0.358   3.568  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -5.078   1.128   2.668  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -4.112   1.417   1.697  0.00  0.00    +0.009 A 
ENDBRANCH   5  11
BRANCH   5  19
ATOM     19  O   LIG    1       -3.277   0.168  -1.603  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -2.617   0.307  -2.313  0.00  0.00    +0.211 HD
ENDBRANCH   5  19
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1        0.768  -1.943   0.141  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -0.239  -2.973   0.596  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        1.070  -3.421   0.038  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1        1.618  -1.132  -2.051  0.00  0.00    +0.145 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.688  -0.148  -1.661  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1        4.030  -0.383  -1.172  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.596   0.882  -0.938  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        5.894   1.068  -0.435  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        6.666  -0.060  -0.160  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        6.161  -1.333  -0.389  0.00  0.00    +0.021 A 
ATOM     31  N   LIG    1        3.669   1.829  -1.296  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1        3.821   2.828  -1.247  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1        4.865  -1.492  -0.890  0.00  0.00    +0.050 A 
ATOM     34 CL   LIG    1        4.277  -3.064  -1.204  0.00  0.00    -0.083 Cl
ATOM     35  C   LIG    1        2.532   1.228  -1.739  0.00  0.00    +0.088 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6