REMARK  Name = BDB063247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.676   0.370   0.427  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -0.503   0.265  -0.209  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.591   0.798   0.401  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -1.494   1.391   1.637  0.00  0.00    +0.181 A 
ATOM      5  N   LIG    1       -0.305   1.489   2.251  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1        0.790   0.976   1.625  0.00  0.00    -0.113 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.851   0.692  -0.253  0.00  0.00    -0.279 N 
ATOM      8  C   LIG    1       -3.987   1.487  -0.092  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1       -4.952   0.879  -0.897  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -6.253   1.404  -0.958  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -6.555   2.559  -0.232  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.574   3.190   0.527  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1       -4.442  -0.193  -1.567  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1       -4.272   2.677   0.604  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.181  -0.267  -1.202  0.00  0.00    +0.119 A 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.251  -1.393  -1.762  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -1.976  -2.604  -0.908  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -2.854  -2.728  -2.118  0.00  0.00    +0.012 C 
ENDBRANCH  15  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.760  -0.184  -0.250  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        1.440  -0.577  -1.123  0.00  0.00    +0.155 HD
BRANCH  19  24
ATOM     21  C   LIG    1        5.894  -0.673   0.524  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        5.329  -1.097  -0.675  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.957  -0.924  -0.904  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        3.116  -0.336   0.055  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        3.700   0.075   1.255  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.070  -0.098   1.490  0.00  0.00    +0.047 A 
BRANCH  21  27
ATOM     27  O   LIG    1        7.208  -0.785   0.879  0.00  0.00    -0.434 OA
BRANCH  27  29
ATOM     28  F   LIG    1        9.376  -0.854   0.336  0.00  0.00    -0.166 F 
ATOM     29  C   LIG    1        8.128  -0.997  -0.178  0.00  0.00    +0.541 C 
ATOM     30  F   LIG    1        8.031  -2.280  -0.605  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6