REMARK  Name = BDB013185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.417   0.095   0.106  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.832  -0.033  -1.179  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.470   0.127  -1.264  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.162  -0.075  -2.578  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.259  -0.319  -3.261  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.345   0.418  -0.160  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.204   0.522   1.021  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.315  -0.291  -2.377  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.571   0.356   1.126  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.808  -2.572  -0.013  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.506  -1.296   0.351  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1        3.858  -0.052   0.394  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1        4.600   1.093   0.714  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        5.965   0.981   0.981  0.00  0.00    +0.144 A 
ATOM     15  N   LIG    1        6.600  -0.222   0.948  0.00  0.00    -0.251 NA
ATOM     16  C   LIG    1        5.870  -1.312   0.626  0.00  0.00    +0.115 A 
BRANCH  14  17
ATOM     17  C   LIG    1        6.746   2.237   1.344  0.00  0.00    +0.434 C 
ATOM     18  F   LIG    1        8.100   2.086   1.329  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        6.434   2.697   2.591  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        6.482   3.279   0.500  0.00  0.00    -0.164 F 
ENDBRANCH  14  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -1.701   0.577  -0.354  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.009   0.871  -1.275  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.549   1.097   0.707  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.988   0.921   0.321  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.642  -0.303   0.429  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.164  -1.597   0.971  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.298  -2.502   0.491  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.476  -1.698   0.252  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.976  -0.436   0.065  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.717   0.622  -0.421  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.077   1.854  -0.559  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.730   1.991  -0.195  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.145   3.187  -0.352  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5