REMARK  Name = BDB005995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.339   0.066  -0.824  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        2.201   0.161   0.257  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.989  -0.221   1.392  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.432   0.832  -0.208  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.208   1.170  -1.556  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.162   1.837  -2.308  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        5.363   2.171  -1.691  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.589   1.835  -0.345  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.625   1.152   0.429  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        1.854   0.731  -2.000  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -2.607  -1.296  -0.264  0.00  0.00    -0.300 NA
ATOM     12  C   LIG    1       -1.587  -2.360  -0.347  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -0.144  -1.853  -0.247  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -0.039  -0.424  -0.778  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1       -0.962   0.514   0.013  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -2.166  -0.214   0.622  0.00  0.00    +0.086 C 
BRANCH  11  17
ATOM     17  C   LIG    1       -3.905  -1.879   0.145  0.00  0.00    +0.112 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.106  -0.921   0.031  0.00  0.00    +0.174 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -6.335   0.752   1.147  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1       -5.261  -0.173   1.240  0.00  0.00    -0.382 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1        5.015   0.857   1.838  0.00  0.00    +0.242 C 
ATOM     22  O   LIG    1        6.046   1.326   2.312  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        4.238   0.051   2.609  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        4.490  -0.044   3.583  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        3.293  -0.232   2.351  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 5