REMARK  Name = BDB005212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.573  -3.115  -0.554  0.00  0.00    +0.037 C 
ATOM      2  C   LIG    1       -2.314  -1.850  -0.102  0.00  0.00    +0.058 C 
ATOM      3  N   LIG    1       -1.632  -0.637  -0.559  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -2.415   0.135  -1.403  0.00  0.00    +0.249 C 
ATOM      5  O   LIG    1       -2.108   1.199  -1.908  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -3.707  -0.553  -1.584  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -4.835  -0.233  -2.336  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.906  -1.149  -2.299  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -5.836  -2.315  -1.534  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -6.877  -3.157  -1.522  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.709  -2.622  -0.785  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -3.642  -1.732  -0.817  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1       -2.525  -1.843   1.418  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   3  14
ATOM     14  C   LIG    1       -0.283  -0.263  -0.111  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1        0.699  -0.115  -1.274  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        2.117   0.168  -0.757  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        2.157   0.847   0.556  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        1.027   1.786   0.652  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -0.286   1.004   0.759  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1        3.462   1.498   0.845  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1        4.680   0.640   0.410  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        5.969   1.109   1.076  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        5.912   0.927   2.591  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        4.487   0.945   3.141  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        3.589   1.887   2.345  0.00  0.00    +0.019 C 
ENDBRANCH  17  20
ENDBRANCH   3  14
BRANCH   7  26
ATOM     26  C   LIG    1       -5.051   0.969  -3.189  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -5.990   1.010  -3.980  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -4.225   2.043  -3.083  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -3.320   2.003  -2.615  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -4.350   2.787  -3.755  0.00  0.00    +0.145 HD
ENDBRANCH   7  26
TORSDOF 3