REMARK  Name = BDB002894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266  -0.068  -0.089  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.121  -0.643   0.198  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.460  -1.108   1.476  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -2.718  -1.622   1.792  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -3.692  -1.665   0.778  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -4.953  -2.182   1.104  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -5.203  -2.631   2.396  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -4.181  -2.546   3.324  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -3.386  -1.194  -0.509  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -2.952  -2.054   3.051  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -2.117  -0.685  -0.792  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -0.522  -1.060   2.487  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -0.992  -1.448   3.259  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.234   1.462  -0.029  0.00  0.00    -0.023 A 
ATOM     15  C   LIG    1       -0.074   2.247  -1.153  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.117   3.640  -1.062  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        0.144   4.284   0.155  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        0.433   3.504   1.284  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        0.477   2.111   1.192  0.00  0.00    +0.006 A 
BRANCH  17  20
ATOM     20  C   LIG    1        0.073   5.787   0.259  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        0.418   6.421  -0.898  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -1.178   6.228   0.567  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        0.896   6.298   1.218  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   1  14
BRANCH   1  24
ATOM     24  N   LIG    1        0.741  -0.551  -1.401  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1        0.380  -1.493  -1.561  0.00  0.00    +0.148 HD
BRANCH  24  29
ATOM     26  C   LIG    1        4.144  -3.781  -2.115  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        3.785  -2.354  -1.826  0.00  0.00    +0.040 A 
ATOM     28  N   LIG    1        2.467  -2.053  -1.734  0.00  0.00    -0.237 NA
ATOM     29  C   LIG    1        2.119  -0.779  -1.468  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1        3.062   0.227  -1.313  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        4.413  -0.090  -1.409  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.785  -1.403  -1.667  0.00  0.00    +0.023 A 
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 6