REMARK  Name = BDB040704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519   0.008  -2.972  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.227   0.818  -1.893  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.243  -0.202  -1.931  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.858  -0.625  -3.251  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.551  -0.115  -1.415  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.851   0.749  -0.357  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.147   0.822   0.155  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.387   1.662   1.172  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.183   0.040  -0.356  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.871  -0.829  -1.399  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -5.823  -1.620  -1.916  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.581  -0.914  -1.923  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.591   0.123   0.189  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.163   1.537   0.108  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -6.906   2.321  -0.804  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.070   1.887   1.081  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -8.463   2.815   1.002  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.616   1.087   2.053  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.528   1.490   2.768  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.093  -0.326   2.133  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -6.663  -0.410   1.625  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.791  -0.525  -2.104  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.537  -0.928  -2.446  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.282  -1.852  -2.123  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        3.242   0.596  -2.273  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.451  -1.558  -1.529  0.00  0.00    -0.445 OA
BRANCH  26  32
ATOM     27  C   LIG    1        7.215   2.184   2.615  0.00  0.00    +0.133 C 
ATOM     28  N   LIG    1        6.303   1.156   2.149  0.00  0.00    -0.292 N 
ATOM     29  C   LIG    1        6.860   0.013   1.601  0.00  0.00    +0.304 C 
ATOM     30  N   LIG    1        6.024  -0.796   0.857  0.00  0.00    -0.282 N 
ATOM     31  C   LIG    1        4.890  -0.314   0.070  0.00  0.00    +0.154 C 
ATOM     32  C   LIG    1        4.795  -1.266  -1.132  0.00  0.00    +0.197 C 
ATOM     33  C   LIG    1        5.437  -2.543  -0.593  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1        6.565  -2.006   0.266  0.00  0.00    +0.113 C 
ATOM     35  O   LIG    1        8.054  -0.258   1.735  0.00  0.00    -0.252 OA
ATOM     36  C   LIG    1        4.992   1.149   2.777  0.00  0.00    +0.133 C 
ENDBRANCH  26  32
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5