REMARK  Name = BDB006994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.831   0.246   0.640  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.643  -0.489  -0.220  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1       -3.015  -0.729  -0.050  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -3.514  -1.523  -1.074  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1       -4.795  -1.929  -1.180  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1       -5.620  -1.498  -0.196  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -5.220  -0.698   0.878  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.432  -1.897  -2.063  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1       -2.770  -1.393  -3.468  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -2.204  -3.411  -2.070  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -3.875  -0.302   0.944  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -1.211  -1.147  -1.472  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -1.240   0.759   1.682  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -6.211  -0.286   1.932  0.00  0.00    +0.273 C 
ATOM     15  F   LIG    1       -6.123   1.043   2.227  0.00  0.00    -0.201 F 
ATOM     16  F   LIG    1       -7.505  -0.477   1.536  0.00  0.00    -0.201 F 
ATOM     17  C   LIG    1       -6.014  -1.064   3.225  0.00  0.00    +0.090 C 
ENDBRANCH   7  14
BRANCH   1  18
ATOM     18  C   LIG    1        0.634   0.373   0.169  0.00  0.00    +0.181 C 
BRANCH  18  25
ATOM     19  C   LIG    1        1.798   4.971   1.506  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        2.255   3.578   1.075  0.00  0.00    +0.065 C 
ATOM     21  N   LIG    1        3.507   3.255   1.777  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1        4.290   3.709   1.310  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        3.730   1.808   1.891  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        2.944   0.911   0.892  0.00  0.00    +0.088 C 
ATOM     25  N   LIG    1        1.496   1.129   1.090  0.00  0.00    -0.287 NA
ATOM     26  C   LIG    1        1.113   2.541   1.269  0.00  0.00    +0.103 C 
BRANCH  24  27
ATOM     27  C   LIG    1        3.489   1.106  -0.557  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.984  -0.125  -1.167  0.00  0.00    -0.300 N 
ATOM     29  C   LIG    1        3.208  -0.998  -1.916  0.00  0.00    +0.216 C 
ATOM     30  O   LIG    1        2.055  -0.831  -2.281  0.00  0.00    -0.276 OA
ATOM     31  C   LIG    1        4.022  -2.246  -2.159  0.00  0.00    +0.097 C 
ATOM     32  C   LIG    1        5.439  -1.811  -1.805  0.00  0.00    +0.028 C 
ATOM     33  C   LIG    1        5.231  -0.729  -0.765  0.00  0.00    +0.108 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5