REMARK  Name = BDB040763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.262  -0.001   2.202  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -1.135  -0.648   2.257  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.619   0.503   1.549  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.315   0.821   1.032  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.856   0.652   0.894  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.021   1.587  -0.131  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.255   1.737  -0.765  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.357   2.632  -1.758  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.370   0.979  -0.403  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.193   0.049   0.621  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -6.210  -0.738   0.998  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.966  -0.113   1.266  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.681   1.178  -1.132  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.907   1.062  -0.235  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -8.165   1.886   0.641  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.713  -0.036  -0.415  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -9.503  -0.104   0.212  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.454  -1.157  -1.161  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.177  -2.148  -1.089  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -7.208  -1.132  -2.012  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -6.817   0.292  -2.374  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.540  -0.494   1.324  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.364  -0.919   1.868  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.317  -1.911   2.054  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.793   0.664   1.040  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.353  -1.562   1.159  0.00  0.00    -0.444 OA
BRANCH  26  29
ATOM     27  N   LIG    1        6.037  -0.029  -0.258  0.00  0.00    -0.294 N 
ATOM     28  C   LIG    1        5.613  -0.294   1.112  0.00  0.00    +0.154 C 
ATOM     29  C   LIG    1        4.661  -1.366   0.570  0.00  0.00    +0.212 C 
ATOM     30  C   LIG    1        4.812  -0.633  -0.767  0.00  0.00    +0.154 C 
BRANCH  27  33
ATOM     31  C   LIG    1        8.429   1.633  -0.078  0.00  0.00    +0.151 C 
ATOM     32  N   LIG    1        8.374   0.280  -0.571  0.00  0.00    -0.322 N 
ATOM     33  C   LIG    1        7.246  -0.499  -0.672  0.00  0.00    +0.198 A 
ATOM     34  N   LIG    1        7.539  -1.673  -1.188  0.00  0.00    -0.223 NA
ATOM     35  C   LIG    1        8.889  -1.651  -1.424  0.00  0.00    +0.132 A 
ATOM     36  C   LIG    1        9.432  -0.447  -1.045  0.00  0.00    +0.108 A 
ENDBRANCH  27  33
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6