REMARK  Name = BDB032422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.353   0.625  -0.144  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.780   0.722  -1.419  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -0.946   0.287  -2.404  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        0.318  -0.241  -2.122  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.739  -0.344  -0.792  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -0.121   0.105   0.213  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.386   0.402  -3.857  0.00  0.00    +0.434 C 
ATOM      8  F   LIG    1       -1.148  -0.743  -4.564  0.00  0.00    -0.164 F 
ATOM      9  F   LIG    1       -2.712   0.669  -4.024  0.00  0.00    -0.164 F 
ATOM     10  F   LIG    1       -0.717   1.386  -4.526  0.00  0.00    -0.164 F 
ENDBRANCH   3   7
BRANCH   1  11
ATOM     11  O   LIG    1       -2.161   1.041   0.893  0.00  0.00    -0.476 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.405   1.625   0.495  0.00  0.00    +0.234 C 
BRANCH  12  17
ATOM     13  C   LIG    1       -8.233  -1.485   0.820  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -7.122  -0.542   0.943  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -6.917   0.176  -0.322  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -5.798   1.210  -0.190  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -4.490   0.560   0.275  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1       -4.739  -0.264   1.546  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -5.898  -1.243   1.356  0.00  0.00    +0.084 C 
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   5  20
ATOM     20  C   LIG    1        2.098  -0.898  -0.442  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.960   0.194  -0.018  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        2.820   1.045  -0.557  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.311  -0.045   0.246  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.176   1.055   0.351  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        6.540   0.912   0.676  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        7.063  -0.370   0.929  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        8.438  -0.461   1.240  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1        9.256   0.605   1.327  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        8.715   1.817   1.093  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        6.184  -1.470   0.874  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        7.387   2.020   0.765  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        4.831  -1.305   0.552  0.00  0.00    +0.023 A 
BRANCH  27  33
ATOM     33  N   LIG    1        9.057  -1.691   1.490  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1        8.937  -2.315   0.701  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       10.040  -1.481   1.651  0.00  0.00    +0.144 HD
ENDBRANCH  27  33
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 8