REMARK  Name = BDB008495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.187   1.256   1.423  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.227   0.612   2.655  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.354   0.031   3.092  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.087   0.547   3.449  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.098   1.144   3.010  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.150   1.816   1.777  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.011   1.884   0.993  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        2.838   2.491   0.402  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.389   1.361   0.583  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        2.924   0.216  -0.009  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1        4.241   0.375  -0.626  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1        4.589  -0.766  -1.524  0.00  0.00    +0.036 A 
ATOM     13  N   LIG    1        3.788  -1.870  -1.668  0.00  0.00    -0.348 N 
ATOM     14  C   LIG    1        4.353  -2.761  -2.535  0.00  0.00    +0.086 A 
ATOM     15  C   LIG    1        5.546  -2.223  -2.964  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        2.516  -2.019  -0.994  0.00  0.00    +0.140 C 
ATOM     17  C   LIG    1        5.697  -0.966  -2.328  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.473  -1.155   0.261  0.00  0.00    +0.130 C 
ENDBRANCH   1   9
BRANCH   6  19
ATOM     19  C   LIG    1       -2.430   2.479   1.320  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.577   1.489   1.154  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -3.698   0.688  -0.092  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -4.748  -0.227  -0.158  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -4.929  -1.028  -1.293  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -4.054  -0.909  -2.371  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.005   0.006  -2.315  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.675  -0.343   0.979  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1       -6.609  -1.136   0.965  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -5.430   0.488   2.044  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1       -6.062   0.424   2.837  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1       -2.825   0.805  -1.180  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1       -4.409   1.378   2.149  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3