REMARK  Name = BDB012849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.036   0.207   0.910  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.099   1.001  -0.001  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.240   0.593   0.408  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.347   1.103  -0.253  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.212   1.866  -1.207  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.185  -0.596   1.251  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.252  -1.090   1.136  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.051  -0.269  -0.471  0.00  0.00    +0.138 A 
ATOM      9  C   LIG    1        5.706   0.328   0.731  0.00  0.00    +0.156 A 
ATOM     10  N   LIG    1        4.431   0.480   1.171  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        3.431   0.020   0.381  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.689  -0.596  -0.841  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.010  -0.738  -1.265  0.00  0.00    +0.049 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.384   0.032  -0.182  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        7.306  -0.455  -0.972  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  C   LIG    1       -2.651   0.701   0.210  0.00  0.00    +0.121 A 
ATOM     17  N   LIG    1       -3.027   0.538   1.513  0.00  0.00    -0.272 N 
ATOM     18  H   LIG    1       -2.465   0.687   2.342  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -4.301   0.146   1.675  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -4.798   0.142   0.432  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1       -3.809   0.499  -0.515  0.00  0.00    +0.057 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -6.239  -0.209   0.194  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.377  -1.460  -0.676  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -7.009   0.960  -0.423  0.00  0.00    +0.014 C 
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 4