REMARK  Name = BDB061434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.667  -0.238  -0.651  0.00  0.00    -0.302 N 
ATOM      2  H   LIG    1       -0.114  -1.079  -0.672  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.001   0.923  -0.980  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1       -0.550   1.892  -1.488  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.420   0.886  -0.696  0.00  0.00    +0.103 A 
ATOM      6  N   LIG    1        2.042   0.050   0.205  0.00  0.00    -0.350 N 
ATOM      7  H   LIG    1        1.559  -0.614   0.791  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        3.402   0.270   0.242  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        3.658   1.311  -0.653  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        4.982   1.753  -0.809  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        6.009   1.157  -0.083  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.726   0.121   0.805  0.00  0.00    +0.008 A 
ATOM     13  F   LIG    1        5.273   2.749  -1.657  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        4.413  -0.357   0.997  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        4.176  -1.472   1.974  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        2.413   1.696  -1.219  0.00  0.00    +0.043 A 
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1       -2.065  -0.408  -1.022  0.00  0.00    +0.125 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -1.875   0.261   2.015  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -2.995   0.719   1.128  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -3.076   0.439  -0.248  0.00  0.00    +0.065 A 
ATOM     21  N   LIG    1       -4.130   0.871  -1.002  0.00  0.00    -0.258 NA
ATOM     22  C   LIG    1       -5.077   1.628  -0.415  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -5.058   1.977   0.918  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.004   1.515   1.694  0.00  0.00    +0.006 A 
ENDBRANCH  17  20
BRANCH  17  25
ATOM     25  C   LIG    1       -2.416  -1.875  -0.874  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -1.925  -2.884  -1.888  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -3.384  -2.531  -1.830  0.00  0.00    +0.006 C 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4