REMARK  Name = BDB013242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.979   0.198  -0.194  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.398  -1.097  -0.197  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.031  -1.164  -0.298  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.731  -2.494  -0.339  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.833  -3.201  -0.221  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.212  -0.032  -0.374  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.751   1.157  -0.398  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.889  -2.317  -0.132  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.128   1.240  -0.313  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.307   1.247   2.295  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.061   0.970   1.025  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.427   0.464  -0.120  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.221   0.203  -1.243  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.588   0.460  -1.205  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.121   0.976  -0.039  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.393   1.239   1.067  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.156  -0.167  -0.451  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.545   0.731  -0.762  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.895  -0.579   0.740  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.311  -0.901   0.362  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -4.232   0.088   0.027  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -4.055   1.557  -0.061  0.00  0.00    +0.186 C 
ATOM     23  C   LIG    1       -5.515   1.986  -0.263  0.00  0.00    +0.265 C 
ATOM     24  O   LIG    1       -6.273   0.847  -0.752  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1       -5.516  -0.237  -0.392  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1       -5.950  -1.544  -0.481  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.051  -2.552  -0.130  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.750  -2.227   0.279  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -2.907  -3.224   0.583  0.00  0.00    -0.205 F 
BRANCH  22  30
ATOM     30  O   LIG    1       -3.235   1.847  -1.186  0.00  0.00    -0.384 OA
ATOM     31  H   LIG    1       -3.657   1.435  -1.964  0.00  0.00    +0.210 HD
ENDBRANCH  22  30
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5