REMARK  Name = BDB030866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.696   1.561  -0.484  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.380   2.723  -0.205  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.579   2.535   0.441  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.062   1.331   0.800  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.315   0.259   0.507  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.141   0.335  -0.127  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.517   0.140  -0.470  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.093   0.776  -1.656  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.283   1.086  -3.107  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.755   1.187  -1.763  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.829   0.991  -0.738  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.582   1.537  -1.176  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.771   2.010  -2.459  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.263   0.351   0.440  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.085   1.811  -2.793  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.510   2.064  -3.675  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.598  -0.065   0.560  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.509  -0.889   0.652  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.864  -0.267  -0.376  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.457  -0.079  -1.174  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        6.053  -1.233   1.731  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.606  -1.728   1.269  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.804  -1.080   0.280  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.905   4.084  -0.555  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -1.011   4.359  -1.885  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -1.622   5.066   0.067  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.390   4.323  -0.215  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -2.739  -1.024   0.861  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.167  -1.676   0.335  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.166  -1.286   1.024  0.00  0.00    +0.095 C 
ATOM     31  C   LIG    1       -4.710  -2.694   0.931  0.00  0.00    +0.079 C 
ATOM     32  N   LIG    1       -5.975  -3.094   1.581  0.00  0.00    -0.311 NA
ATOM     33  H   LIG    1       -5.885  -3.102   2.597  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -6.989  -2.104   1.174  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -6.500  -1.528  -0.165  0.00  0.00    +0.022 C 
ATOM     36  C   LIG    1       -5.013  -1.707  -0.149  0.00  0.00    +0.031 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6