REMARK  Name = BDB046620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.053   0.620   0.589  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1       -0.494  -0.664  -0.068  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.273  -1.852   0.340  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -0.161  -2.427   1.060  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.656  -1.735   0.455  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.321  -0.511   0.352  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.707  -0.438   0.335  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.472  -1.599   0.460  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.829  -2.828   0.600  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.338   0.879   0.167  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.556   1.001   0.121  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        3.479   1.947   0.048  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.896   2.871  -0.028  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        2.123   1.905   0.180  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        2.431  -2.893   0.591  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.553   0.745   0.330  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.968  -0.997   0.148  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -2.628  -1.795  -0.808  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.968  -2.150  -0.645  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.657  -1.716   0.479  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -5.943  -2.056   0.637  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.029  -0.941   1.444  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.686  -0.588   1.284  0.00  0.00    +0.008 A 
ENDBRANCH   2  17
BRANCH   1  26
ATOM     24  C   LIG    1       -0.195   1.957  -2.304  0.00  0.00    +0.150 C 
ATOM     25  N   LIG    1       -0.792   2.412  -1.073  0.00  0.00    -0.337 N 
ATOM     26  C   LIG    1       -0.702   1.863   0.189  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1       -1.428   2.569   1.042  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1       -1.979   3.593   0.325  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1       -1.604   3.513  -0.991  0.00  0.00    +0.106 A 
ENDBRANCH   1  26
TORSDOF 2