REMARK  Name = BDB008519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.916  -0.739  -0.344  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.225  -0.029  -0.360  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.392  -0.697  -0.387  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.439  -2.071  -0.436  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.230  -2.717  -0.420  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.948  -2.077  -0.366  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.078   0.027  -0.295  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.825   1.004  -0.302  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1        5.747   0.561  -0.214  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        4.362   0.787  -0.217  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        3.445  -0.271  -0.322  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.960  -1.567  -0.420  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.340  -1.804  -0.434  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.236  -0.742  -0.336  0.00  0.00    +0.013 A 
BRANCH   9  18
ATOM     15  N   LIG    1        7.921   1.519   0.353  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        8.466   2.350   0.546  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        8.175   0.676   0.849  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        6.649   1.738  -0.100  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        6.267   2.870  -0.365  0.00  0.00    -0.270 OA
ENDBRANCH   9  18
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1       -2.547   0.092  -0.424  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1       -2.264   1.068  -0.441  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.815  -0.090   0.158  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -4.877   0.698  -0.311  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1       -6.179   0.559   0.201  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -6.410  -0.379   1.215  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.365  -1.166   1.693  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.079  -1.023   1.165  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.296   1.433  -0.312  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -8.529   0.875  -0.158  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -7.347   2.634   0.328  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -7.181   1.720  -1.639  0.00  0.00    -0.166 F 
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6