REMARK  Name = BDB062821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.467  -0.150  -0.851  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.336   1.222  -0.223  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -1.005   1.514   0.016  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.771   2.752   0.584  0.00  0.00    +0.141 A 
ATOM      5  N   LIG    1       -1.774   3.582   0.929  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -3.028   3.164   0.667  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -0.132   0.504  -0.428  0.00  0.00    -0.295 N 
ATOM      8  N   LIG    1       -3.380   2.007   0.089  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1       -0.976  -0.436  -1.198  0.00  0.00    +0.124 C 
ATOM     10  C   LIG    1       -3.328  -0.086  -2.117  0.00  0.00    +0.019 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.164   0.126  -0.060  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        1.987  -0.569  -0.973  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        3.281  -0.950  -0.589  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        3.720  -0.639   0.685  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        4.993  -1.110   0.813  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        5.244  -1.688  -0.396  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        2.966   0.034   1.632  0.00  0.00    +0.050 A 
ATOM     18  N   LIG    1        4.269  -1.613  -1.271  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        1.675   0.405   1.223  0.00  0.00    +0.027 A 
BRANCH  16  20
ATOM     20  N   LIG    1        6.453  -2.233  -0.548  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.177  -1.887   0.068  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        6.753  -2.352  -1.508  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   7  11
BRANCH   4  23
ATOM     23  N   LIG    1        0.511   3.233   0.844  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        0.432   4.199   1.145  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        1.115   3.107   0.039  0.00  0.00    +0.144 HD
ENDBRANCH   4  23
BRANCH   1  27
ATOM     26  C   LIG    1       -3.257  -2.555  -0.299  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.031  -1.133   0.202  0.00  0.00    +0.011 C 
ENDBRANCH   1  27
TORSDOF 4