REMARK  Name = BDB041331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.310  -0.231   0.051  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        1.599  -0.347  -1.224  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1        0.183   0.012  -1.267  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.516  -0.124  -2.404  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1        0.102  -0.576  -3.544  0.00  0.00    -0.328 N 
ATOM      6  H   LIG    1       -0.420  -0.676  -4.407  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1        1.430  -0.913  -3.612  0.00  0.00    +0.249 A 
ATOM      8  O   LIG    1        1.962  -1.303  -4.643  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -0.431   0.511   0.026  0.00  0.00    +0.128 A 
ATOM     10  N   LIG    1        0.277   0.576   1.128  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1        2.197  -0.785  -2.349  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        1.605   0.218   1.110  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.250  -2.928   0.989  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        4.079  -1.780   0.691  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.681  -0.537   0.269  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        4.842   0.196   0.142  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        5.901  -0.679   0.513  0.00  0.00    +0.147 A 
ATOM     18  N   LIG    1        5.410  -1.887   0.844  0.00  0.00    -0.166 NA
BRANCH  17  19
ATOM     19  C   LIG    1        7.346  -0.393   0.561  0.00  0.00    +0.262 C 
ATOM     20  O   LIG    1        8.187  -1.108   1.100  0.00  0.00    -0.269 OA
ATOM     21  N   LIG    1        7.752   0.756  -0.071  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        7.167   1.220  -0.748  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        8.754   0.866  -0.156  0.00  0.00    +0.145 HD
ENDBRANCH  17  19
ENDBRANCH   1  15
BRANCH   9  24
ATOM     24  N   LIG    1       -1.755   0.908   0.077  0.00  0.00    -0.324 N 
ATOM     25  H   LIG    1       -2.142   1.266  -0.787  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.294   1.591   1.242  0.00  0.00    +0.141 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.788   1.679   1.115  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.617   0.583   1.338  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.282  -0.790   1.785  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -5.623  -1.472   1.515  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -6.667  -0.472   1.489  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -5.996   0.692   1.218  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -6.614   1.877   0.875  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -5.803   2.985   0.630  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -4.411   2.878   0.746  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -3.664   3.962   0.492  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   9  24
TORSDOF 5