REMARK  Name = BDB006912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.355   0.573   0.377  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.217  -0.659   0.668  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.498  -1.082   0.256  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.774  -2.349   0.752  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.984  -2.932   0.447  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.913  -2.319  -0.316  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.627  -1.073  -0.789  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.652  -2.883   1.597  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.089  -3.038   3.058  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.112  -4.210   1.057  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.425  -0.418  -0.523  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.397  -1.750   1.449  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.229   1.463  -0.247  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.787   0.801   0.912  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.837   0.939  -1.358  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.619   1.568  -0.031  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.871   2.038   0.585  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.837   2.724  -0.427  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.515   3.940   0.198  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.140   3.133  -1.661  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -3.321   3.672  -1.365  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.596   1.920  -2.319  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -3.559  -0.431  -1.327  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.232  -2.258  -2.665  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -3.544  -1.016  -2.633  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.692  -0.391  -1.619  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.470   0.657  -0.855  0.00  0.00    -0.039 A 
ATOM     28  C   LIG    1        6.445   0.272   0.077  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        7.147   1.240   0.786  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        8.077   0.863   1.674  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.899   2.594   0.591  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        5.928   2.987  -0.327  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        5.215   2.024  -1.047  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6