REMARK  Name = BDB009014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.034  -1.282  -0.536  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.169  -1.582   0.121  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.305  -2.009  -0.590  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.207  -2.169  -1.977  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.016  -1.871  -2.637  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.097  -1.425  -1.921  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.793  -0.464  -1.310  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.385  -0.490  -0.155  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1        1.114  -0.854   0.264  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        0.937  -0.810   1.259  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.264  -0.104   1.025  0.00  0.00    +0.096 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.675   0.299   0.600  0.00  0.00    +0.014 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.528   0.679   1.811  0.00  0.00    +0.035 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.925   1.081   1.410  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        7.940   0.120   1.311  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        9.229   0.491   0.925  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        9.514   1.823   0.631  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.510   2.785   0.720  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.220   2.416   1.105  0.00  0.00    +0.003 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.580  -2.344   0.151  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.848  -1.821  -0.519  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -5.248  -0.390  -0.332  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.402   0.549   0.481  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -4.793   2.021   0.315  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.306   2.196   0.327  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.959   1.386  -0.795  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -6.392  -0.001  -0.921  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -7.174  -0.962  -1.739  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -8.212  -0.636  -2.304  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.664  -2.230  -1.822  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -7.185  -2.903  -2.374  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -5.528  -2.676  -1.225  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7