REMARK  Name = BDB045980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.851   0.295   1.960  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        1.959   0.214   0.898  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.514  -0.912   0.052  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        0.653  -0.403  -0.903  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.384   1.006  -0.720  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.841  -2.078   0.175  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.288   1.354   0.417  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        1.483   2.605   0.979  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        2.375   2.712   2.041  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.049   1.576   2.521  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.353  -2.105   2.263  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        2.732  -2.379   1.503  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.958  -2.821   2.639  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        3.635  -0.813   2.575  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        4.532  -0.573   3.379  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -0.094  -1.229  -1.838  0.00  0.00    +0.114 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.353  -1.866  -1.242  0.00  0.00    +0.074 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.521  -0.915  -1.167  0.00  0.00    +0.043 A 
ATOM     19  N   LIG    1       -2.795  -0.364   0.039  0.00  0.00    -0.260 NA
ATOM     20  C   LIG    1       -3.844   0.485   0.115  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -4.635   0.829  -0.967  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.337   0.264  -2.201  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.268  -0.621  -2.307  0.00  0.00    +0.023 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4