REMARK  Name = BDB031122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.887   0.409  -0.564  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        2.757  -0.287  -0.312  0.00  0.00    +0.100 A 
ATOM      3  N   LIG    1        2.597  -1.596  -0.788  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        3.590  -2.257  -1.507  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        3.245  -3.489  -1.805  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.988  -3.638  -1.287  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        4.783  -1.539  -1.786  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.543  -2.490  -0.654  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1        4.929  -0.277  -1.343  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        0.276  -2.230   0.016  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -0.212  -0.978  -0.138  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1       -1.393  -0.672   0.433  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.101  -1.598   1.186  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.595  -2.886   1.334  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.387  -3.214   0.734  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1       -1.802   0.635   0.235  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.074   1.033  -0.357  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.121   0.944  -0.322  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1       -4.241   0.987   0.696  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -4.029   1.154   2.192  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -4.536   2.310   1.389  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -5.396   0.179   0.156  0.00  0.00    +0.089 C 
ATOM     23  N   LIG    1       -5.117   0.113  -1.284  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1       -5.582  -0.693  -1.699  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.656  -0.021  -1.395  0.00  0.00    +0.103 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  27
ATOM     26  C   LIG    1        3.212   2.327   1.012  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1        4.175   1.839  -0.086  0.00  0.00    +0.184 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.115   2.860  -1.265  0.00  0.00    +0.422 C 
ATOM     29  F   LIG    1        4.993   2.564  -2.252  0.00  0.00    -0.167 F 
ATOM     30  F   LIG    1        2.879   2.894  -1.822  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1        4.392   4.120  -0.848  0.00  0.00    -0.167 F 
ENDBRANCH  27  28
BRANCH  27  32
ATOM     32  O   LIG    1        5.484   1.826   0.535  0.00  0.00    -0.376 OA
ATOM     33  H   LIG    1        5.491   1.098   1.181  0.00  0.00    +0.211 HD
ENDBRANCH  27  32
ENDBRANCH   1  27
TORSDOF 6