REMARK  Name = BDB002895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012   0.327  -0.332  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        1.490   0.123   0.262  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        2.845   0.075  -0.071  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        3.203   0.221  -1.423  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        4.565   0.174  -1.748  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.508  -0.010  -0.743  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        5.057  -0.143   0.558  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.207   0.407  -2.396  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.859   0.447  -2.030  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.753  -0.105   0.912  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.472   0.307  -0.687  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1        1.169  -0.001   1.600  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        2.042  -0.139   2.033  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.582  -1.085  -0.167  0.00  0.00    -0.023 A 
ATOM     15  C   LIG    1       -1.606  -1.751   1.069  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -2.111  -3.051   1.177  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.607  -3.720   0.050  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -2.572  -3.068  -1.190  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -2.067  -1.769  -1.296  0.00  0.00    +0.006 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.130  -5.130   0.162  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1       -3.643  -5.420   1.390  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -2.163  -6.061  -0.069  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -4.127  -5.401  -0.728  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   1  14
BRANCH   1  24
ATOM     24  N   LIG    1       -1.277   1.146   0.866  0.00  0.00    -0.332 N 
ATOM     25  H   LIG    1       -0.576   0.890   1.567  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -1.294   2.538   0.675  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -0.446   3.386   1.391  0.00  0.00    +0.133 A 
ATOM     28  N   LIG    1       -0.412   4.737   1.269  0.00  0.00    -0.261 NA
ATOM     29  C   LIG    1       -1.287   5.280   0.400  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -2.189   4.540  -0.346  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -2.191   3.154  -0.199  0.00  0.00    +0.026 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6