REMARK  Name = BDB018942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.231  -1.568  -1.486  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.040  -1.172  -1.002  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.190  -1.272  -1.805  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.443  -0.875  -1.303  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.585  -0.362  -0.005  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.456  -0.277   0.822  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.126  -1.842  -3.198  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.706  -1.853  -3.736  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.204  -0.678   0.304  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.235  -2.422  -2.684  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  15
ATOM     11  N   LIG    1       -5.110  -0.292   0.888  0.00  0.00    -0.346 N 
ATOM     12  C   LIG    1       -3.990  -0.804   0.270  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -3.113   0.266   0.059  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -1.853  -0.015  -0.521  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -1.495  -1.321  -0.905  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -2.419  -2.349  -0.696  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -3.758   1.458   0.539  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -3.667  -2.116  -0.106  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -4.973   1.057   1.067  0.00  0.00    +0.099 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.308   2.849   0.545  0.00  0.00    +0.246 C 
ATOM     21  N   LIG    1       -2.439   3.180  -0.471  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1       -2.381   2.542  -1.253  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.029   4.544  -0.674  0.00  0.00    +0.128 C 
ATOM     24  O   LIG    1       -3.719   3.667   1.363  0.00  0.00    -0.270 OA
ENDBRANCH  17  20
BRANCH  11  26
ATOM     25  C   LIG    1       -6.109  -1.667   2.679  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -6.279  -1.052   1.301  0.00  0.00    +0.118 C 
ENDBRANCH  11  26
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  C   LIG    1        4.910   0.043   0.417  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.255   1.311   0.829  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.590   1.270   1.106  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        7.406   2.349   1.607  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.156   0.074   0.852  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.128  -0.674   0.440  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1        2.514   0.226   2.243  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        2.639   1.581   2.321  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        3.540  -0.297   2.972  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 5