REMARK  Name = BDB040856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.213  -1.714  -0.907  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1       -7.167  -0.029   1.551  0.00  0.00    +0.063 C 
ATOM      3  C   LIG    1       -5.824  -0.241   0.952  0.00  0.00    +0.018 A 
ATOM      4  N   LIG    1       -5.441   0.255  -0.271  0.00  0.00    -0.331 N 
ATOM      5  C   LIG    1       -6.163   1.094  -1.230  0.00  0.00    +0.170 C 
ATOM      6  C   LIG    1       -5.444   1.211  -2.601  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -4.146   0.765  -2.736  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1       -3.697   0.895  -3.635  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -3.479   0.071  -1.727  0.00  0.00    +0.094 A 
ATOM     10  C   LIG    1       -2.187  -0.436  -1.824  0.00  0.00    +0.151 A 
ATOM     11  F   LIG    1       -1.490  -0.234  -2.954  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1       -1.610  -1.152  -0.765  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.368  -1.395   0.409  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -3.679  -0.889   0.509  0.00  0.00    +0.002 A 
ATOM     15  O   LIG    1       -6.000   1.740  -3.569  0.00  0.00    -0.273 OA
ATOM     16  C   LIG    1       -6.371   2.506  -0.684  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -4.173  -0.165  -0.557  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -4.731  -0.929   1.465  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   1  19
ATOM     19  N   LIG    1        0.637  -1.470   0.270  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.826  -2.349   0.231  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.015  -1.844   1.080  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        3.466  -0.523   0.611  0.00  0.00    -0.324 N 
ATOM     23  C   LIG    1        2.458   0.308  -0.072  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.028  -0.047   0.403  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.785  -0.107   0.731  0.00  0.00    +0.085 A 
ATOM     26  C   LIG    1        5.380   0.908  -0.052  0.00  0.00    +0.235 A 
ATOM     27  F   LIG    1        4.652   1.503  -1.015  0.00  0.00    -0.182 F 
ATOM     28  N   LIG    1        6.658   1.347   0.040  0.00  0.00    -0.213 NA
ATOM     29  C   LIG    1        7.424   0.741   0.978  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        6.968  -0.265   1.812  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        5.643  -0.683   1.681  0.00  0.00    +0.030 A 
BRANCH  29  32
ATOM     32  C   LIG    1        8.838   1.217   1.090  0.00  0.00    +0.260 C 
ATOM     33  O   LIG    1        9.631   0.749   1.897  0.00  0.00    -0.269 OA
ATOM     34  N   LIG    1        9.189   2.216   0.224  0.00  0.00    -0.324 N 
ATOM     35  H   LIG    1       10.127   2.588   0.241  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1        8.504   2.578  -0.430  0.00  0.00    +0.145 HD
ENDBRANCH  29  32
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 4