REMARK  Name = BDB042681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.044  -1.399  -0.409  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1        0.489  -0.134   0.120  0.00  0.00    +0.086 C 
ATOM      3  C   LIG    1        1.996   0.032  -0.054  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1        2.761  -1.115   0.618  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1        2.012  -2.451   0.487  0.00  0.00    +0.037 C 
ATOM      6  C   LIG    1        0.993  -2.414  -0.648  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        4.094  -1.256   0.017  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1        4.062  -1.567  -0.951  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        5.114  -0.330   0.236  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        6.230  -0.356  -0.613  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        7.320   0.500  -0.421  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        7.334   1.400   0.649  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        6.247   1.401   1.532  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        5.161   0.539   1.330  0.00  0.00    +0.023 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.515   2.309   0.879  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        8.177   3.482   1.486  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.464   1.739   1.670  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        9.151   2.661  -0.274  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.903  -1.228  -1.589  0.00  0.00    +0.085 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.390  -1.100  -1.227  0.00  0.00    +0.021 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.750   0.162  -0.440  0.00  0.00    +0.054 C 
BRANCH  21  30
ATOM     22  O   LIG    1       -6.641  -1.384   1.784  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.170  -0.589   0.979  0.00  0.00    +0.258 A 
ATOM     24  C   LIG    1       -7.015   0.409   0.294  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -6.420   1.285  -0.606  0.00  0.00    +0.078 A 
ATOM     26  N   LIG    1       -7.109   2.236  -1.283  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -8.440   2.303  -1.045  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -9.115   1.469  -0.164  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -4.985   1.214  -0.864  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -4.240   0.292  -0.235  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -8.386   0.500   0.521  0.00  0.00    +0.017 A 
ATOM     32  N   LIG    1       -4.828  -0.574   0.662  0.00  0.00    -0.326 N 
ATOM     33  H   LIG    1       -4.261  -1.264   1.143  0.00  0.00    +0.169 HD
ENDBRANCH  21  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7