REMARK  Name = BDB013182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.817   0.080   0.068  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.456  -0.208  -1.274  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.212   0.204  -1.686  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.143  -0.117  -3.009  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.245  -0.732  -3.378  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.690   0.869  -0.847  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.336   1.173   0.374  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.076  -0.791  -2.279  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.911   0.762   0.803  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1       -4.392   1.405  -0.703  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -4.328   0.323   0.344  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -5.499  -0.149   0.968  0.00  0.00    +0.110 A 
ATOM     13  N   LIG    1       -5.469  -1.114   1.933  0.00  0.00    -0.254 NA
ATOM     14  C   LIG    1       -4.286  -1.673   2.243  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1       -3.095  -1.306   1.655  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -3.106  -0.292   0.691  0.00  0.00    -0.007 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -6.866   0.429   0.635  0.00  0.00    +0.390 C 
ATOM     18  F   LIG    1       -7.916  -0.331   1.063  0.00  0.00    -0.202 F 
ATOM     19  F   LIG    1       -7.076   0.608  -0.702  0.00  0.00    -0.202 F 
ENDBRANCH  12  17
ENDBRANCH   1  16
BRANCH   6  20
ATOM     20  N   LIG    1        1.942   1.246  -1.288  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.335   1.859  -0.575  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.943   0.239  -1.636  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.432  -0.489  -0.418  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.427   0.014   0.414  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.253   1.240   0.296  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.874   1.259   1.693  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        5.850  -0.081   2.235  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.847  -0.697   1.532  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        4.307  -1.920   1.878  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        3.294  -2.433   1.070  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        2.866  -1.720  -0.057  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        1.888  -2.241  -0.811  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5