REMARK  Name = BDB041352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.366   0.905  -0.106  0.00  0.00    -0.037 C 
ATOM      2  C   LIG    1        1.499   1.407  -1.241  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1        0.019   1.554  -0.840  0.00  0.00    +0.089 C 
ATOM      4  N   LIG    1       -0.085   2.253   0.442  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        0.541   1.494   1.523  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        1.901   0.958   1.158  0.00  0.00    -0.007 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.196  -0.630  -1.073  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        5.771   0.477  -1.735  0.00  0.00    -0.214 NA
ATOM      9  C   LIG    1        4.546   0.940  -1.393  0.00  0.00    +0.221 A 
ATOM     10  F   LIG    1        4.146   2.042  -2.047  0.00  0.00    -0.183 F 
ATOM     11  C   LIG    1        3.709   0.370  -0.425  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        4.193  -0.778   0.217  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.451  -1.286  -0.104  0.00  0.00    +0.034 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.462  -0.787  -2.969  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.206  -0.386  -2.396  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.674   0.378  -2.805  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.552  -1.145  -1.449  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.010  -2.164  -0.945  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.432   2.744   0.750  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.507   1.711   0.991  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.276   1.213  -0.062  0.00  0.00    +0.132 A 
ATOM     22  F   LIG    1       -3.053   1.661  -1.308  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.285   0.257   0.136  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.064  -0.221  -1.060  0.00  0.00    +0.118 C 
ATOM     25  C   LIG    1       -6.146  -1.238  -0.790  0.00  0.00    +0.170 C 
ATOM     26  C   LIG    1       -6.368  -1.716   0.589  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -5.601  -1.226   1.640  0.00  0.00    +0.082 A 
ATOM     28  N   LIG    1       -5.788  -1.651   2.920  0.00  0.00    -0.254 NA
ATOM     29  C   LIG    1       -6.751  -2.573   3.148  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -7.553  -3.107   2.156  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.358  -2.668   0.852  0.00  0.00    +0.015 A 
ATOM     32  O   LIG    1       -6.848  -1.678  -1.701  0.00  0.00    -0.292 OA
ATOM     33  C   LIG    1       -4.546  -0.225   1.427  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -3.775   0.284   2.489  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -2.774   1.238   2.279  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4