REMARK  Name = BDB016444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.729   0.426   1.143  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1       -2.553  -0.561   0.254  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.377  -1.203   0.256  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.330  -0.891   1.135  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.921  -1.586   1.082  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        1.030  -2.651   0.179  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -0.012  -2.964  -0.692  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.651   0.127   2.031  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -1.195  -2.232  -0.651  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.823   0.796   2.060  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.731   1.449  -0.042  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -4.028   1.120   1.143  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.617   1.472   2.379  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.861   2.099   2.452  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.554   2.394   1.287  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.996   2.073   0.051  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -4.803   1.892  -2.394  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.168   1.169  -1.419  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -2.853   1.498  -1.558  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.301  -0.128  -1.811  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        1.942  -1.263   1.993  0.00  0.00    -0.332 N 
ATOM     22  H   LIG    1        1.995  -0.260   2.153  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.283  -1.829   1.891  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.019  -1.236   0.769  0.00  0.00    -0.078 C 
ATOM     25  C   LIG    1        4.598  -0.747  -0.163  0.00  0.00    -0.063 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.260  -0.160  -1.284  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        6.646  -0.107  -1.355  0.00  0.00    +0.127 A 
ATOM     28  N   LIG    1        7.331   0.436  -2.390  0.00  0.00    -0.262 NA
ATOM     29  C   LIG    1        6.593   0.948  -3.400  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        5.207   0.942  -3.421  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        4.531   0.376  -2.342  0.00  0.00    +0.020 A 
ENDBRANCH  25  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6