REMARK  Name = BDB008516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.093  -0.823   0.344  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.118  -1.233   0.758  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.181  -0.975  -0.027  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        2.048  -0.344  -1.242  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.779   0.039  -1.588  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.293  -0.181  -0.813  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.138  -1.101   1.222  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.768  -1.585   2.026  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -4.609  -0.265   0.036  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -3.209  -0.448   0.044  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.525  -0.938   1.164  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -3.283  -1.236   2.305  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -4.668  -1.065   2.322  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.328  -0.582   1.194  0.00  0.00    +0.004 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.787   0.193  -1.283  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -5.260   0.286  -1.230  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.853   1.734  -1.509  0.00  0.00    +0.218 C 
ATOM     18  O   LIG    1       -4.477   2.123  -2.612  0.00  0.00    -0.275 OA
ATOM     19  N   LIG    1       -5.002   2.623  -0.481  0.00  0.00    -0.329 N 
ATOM     20  H   LIG    1       -4.620   3.543  -0.656  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.940   2.287   0.472  0.00  0.00    +0.145 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1        3.412  -1.443   0.446  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        3.254  -1.937   1.319  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.714  -0.924   0.345  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        4.999   0.384  -0.065  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        6.324   0.844  -0.179  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        7.378  -0.024   0.136  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        7.111  -1.328   0.544  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.790  -1.771   0.645  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1        6.597   2.268  -0.596  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        7.829   2.440  -1.151  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.708   2.728  -1.521  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.532   3.136   0.450  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 7