REMARK  Name = BDB046636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.040   0.626   0.584  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1       -0.501  -0.657  -0.079  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.232  -1.852   0.370  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -0.237  -2.413   1.079  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.611  -1.754   0.535  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.298  -0.541   0.444  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.685  -0.488   0.478  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.427  -1.659   0.644  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.760  -2.877   0.773  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.342   0.817   0.320  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.563   0.920   0.319  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        3.504   1.896   0.159  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.937   2.813   0.089  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        2.143   1.876   0.240  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        2.363  -2.922   0.712  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.550   0.725   0.381  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.987  -0.966   0.085  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -2.623  -1.766  -0.887  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.973  -2.099  -0.770  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.697  -1.642   0.323  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -5.993  -1.961   0.436  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.094  -0.866   1.302  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.741  -0.534   1.189  0.00  0.00    +0.008 A 
ENDBRANCH   2  17
BRANCH   1  26
ATOM     24  C   LIG    1       -0.079   1.934  -2.331  0.00  0.00    +0.150 C 
ATOM     25  N   LIG    1       -0.715   2.412  -1.127  0.00  0.00    -0.337 N 
ATOM     26  C   LIG    1       -0.680   1.875   0.143  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1       -1.427   2.601   0.960  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1       -1.935   3.626   0.212  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1       -1.513   3.525  -1.088  0.00  0.00    +0.106 A 
ENDBRANCH   1  26
TORSDOF 2