REMARK  Name = BDB021266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.466  -0.746  -2.572  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.408  -0.279  -1.692  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.762  -0.070  -0.556  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.425  -0.403  -0.682  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.503  -0.280   0.372  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.099   0.185   1.520  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.230   0.522   1.658  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.197   0.431   0.716  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.230  -0.830  -1.977  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.557   0.816   0.995  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.681   0.429   0.297  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        5.746   1.019   0.915  0.00  0.00    -0.262 N 
ATOM     13  N   LIG    1        5.391   1.795   1.954  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        4.063   1.662   2.009  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.130   0.953   0.508  0.00  0.00    +0.256 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.798  -0.293   1.015  0.00  0.00    +0.409 C 
ATOM     17  F   LIG    1        9.092  -0.320   0.605  0.00  0.00    -0.169 F 
ATOM     18  F   LIG    1        7.216  -1.413   0.529  0.00  0.00    -0.169 F 
ATOM     19  F   LIG    1        7.809  -0.379   2.361  0.00  0.00    -0.169 F 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1        2.035  -1.352  -5.028  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1        1.799  -1.075  -3.925  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  N   LIG    1       -1.812  -0.650   0.149  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.982  -1.327  -0.587  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.748  -0.780   1.253  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.138  -0.932   0.707  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.874   0.151   0.236  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.545   1.597   0.225  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.665   2.099  -0.686  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.754   1.147  -0.665  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.159  -0.019  -0.263  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.769  -1.256  -0.322  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.043  -2.360   0.125  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.745  -2.192   0.627  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.073  -3.277   1.036  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 7