REMARK  Name = BDB042727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.370  -3.260  -1.323  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.513  -2.504  -0.883  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.874  -1.220  -0.269  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.856  -0.391   0.190  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        2.136   0.844   0.786  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        1.121   1.651   1.323  0.00  0.00    -0.337 N 
ATOM      7  H   LIG    1        1.401   2.633   1.404  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.178   1.520   0.624  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -0.639   0.045   0.625  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1        3.477   1.194   0.974  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.494   0.361   0.507  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        5.770   0.728   0.679  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.465  -0.856   0.060  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.160  -2.013  -0.452  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        4.208  -0.842  -0.122  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        1.170  -2.798  -0.922  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        0.899  -3.686  -1.334  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.966  -0.161  -0.092  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1       -2.123   0.172  -1.445  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1       -1.095   0.700  -2.123  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.328  -0.022  -2.111  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -4.404  -0.566  -1.418  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1       -5.903  -0.812  -2.225  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.277  -0.914  -0.073  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.062  -0.715   0.588  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
BRANCH   8  26
ATOM     26  C   LIG    1       -1.193   2.438   1.324  0.00  0.00    +0.236 C 
ATOM     27  F   LIG    1       -0.719   3.719   1.283  0.00  0.00    -0.247 F 
ENDBRANCH   8  26
TORSDOF 2