REMARK  Name = BDB046520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.605  -1.405  -1.044  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1        0.664  -0.556  -0.939  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1        1.106   0.045  -1.921  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1        1.200  -0.440   0.338  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.768  -1.330   1.363  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.142  -2.350   1.049  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -0.550  -3.275   2.014  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.071  -3.184   3.317  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        0.827  -2.174   3.649  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.247  -1.257   2.679  0.00  0.00    +0.027 A 
ATOM     11  O   LIG    1       -0.659  -2.551  -0.202  0.00  0.00    -0.478 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.862  -0.557  -0.813  0.00  0.00    +0.095 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.039   0.546  -1.857  0.00  0.00    +0.233 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.250   1.274  -1.635  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -5.565   1.121  -1.252  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -4.438   0.679  -1.970  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.589  -0.282  -2.972  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -5.848  -0.823  -3.246  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.963  -0.403  -2.527  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.824   0.566  -1.535  0.00  0.00    +0.008 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.433   2.163  -0.165  0.00  0.00    +0.159 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -4.542   0.499   1.416  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -4.755   1.653   1.083  0.00  0.00    +0.309 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.408   2.661   1.915  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -3.995   2.196   2.673  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   4  26
ATOM     26  C   LIG    1        2.317   0.479   0.537  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.672  -0.208   0.347  0.00  0.00    +0.019 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.826   0.780   0.527  0.00  0.00    +0.002 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.178   0.094   0.322  0.00  0.00    +0.003 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.369   1.014   0.588  0.00  0.00    +0.033 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.490   2.160  -0.401  0.00  0.00    +0.213 C 
ATOM     32  F   LIG    1        8.623   2.859  -0.112  0.00  0.00    -0.249 F 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 13