REMARK  Name = BDB049097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.585  -3.238   1.556  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.696  -2.156   1.014  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        2.168  -0.850   0.819  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.328   0.156   0.330  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.003  -0.140   0.015  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.502  -1.435   0.205  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.358  -2.434   0.697  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -1.940  -1.798  -0.139  0.00  0.00    +0.051 C 
ATOM      9  C   LIG    1       -2.136  -2.033  -1.665  0.00  0.00    +0.079 C 
ATOM     10  C   LIG    1       -3.456  -1.299  -1.978  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -3.402  -0.150  -1.070  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1       -2.987  -0.719   0.218  0.00  0.00    +0.094 C 
BRANCH   9  13
ATOM     13  N   LIG    1       -2.003  -3.444  -2.095  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -1.818  -3.535  -3.545  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -3.100  -4.315  -1.679  0.00  0.00    +0.104 C 
ENDBRANCH   9  13
BRANCH  11  16
ATOM     16  C   LIG    1       -4.662   0.593  -1.022  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.534   1.920  -0.303  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.835   2.957  -0.942  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -3.333   2.770  -2.172  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.653   4.199  -0.343  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.176   4.433   0.923  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.884   3.423   1.577  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.076   2.164   0.979  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1       -5.860   1.123   1.730  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   6   8
BRANCH   3  25
ATOM     25  C   LIG    1        3.565  -0.488   1.138  0.00  0.00    +0.247 C 
ATOM     26  N   LIG    1        4.463  -0.333   0.078  0.00  0.00    -0.298 N 
ATOM     27  C   LIG    1        4.096  -0.512  -1.320  0.00  0.00    +0.132 C 
ATOM     28  O   LIG    1        3.860  -0.339   2.321  0.00  0.00    -0.270 OA
BRANCH  26  29
ATOM     29  C   LIG    1        5.718   0.367   0.358  0.00  0.00    +0.139 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.676   1.865  -0.019  0.00  0.00    +0.136 C 
ATOM     31  O   LIG    1        4.543   2.519   0.583  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1        4.987   3.257   1.730  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1        6.473   3.014   1.886  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1        6.893   2.622   0.490  0.00  0.00    +0.035 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   3  25
TORSDOF 7