REMARK  Name = BDB012776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.440  -0.837  -1.587  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.499  -0.483  -0.638  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.920  -0.647  -0.928  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.616  -0.351   0.404  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1        0.709   0.723   1.007  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.685   0.254   0.603  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.080  -1.294  -2.673  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1        3.015   0.020   0.301  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1        3.510   1.113  -0.394  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.894   1.990  -0.967  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        4.974   1.024  -0.333  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        5.310  -0.139   0.359  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        6.638  -0.472   0.558  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        7.617   0.390   0.049  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.262   1.560  -0.648  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.921   1.888  -0.847  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.073  -0.861   0.772  0.00  0.00    +0.144 C 
ENDBRANCH   4   8
BRANCH   1  22
ATOM     18  C   LIG    1       -4.965  -0.415  -0.641  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1       -5.035  -0.591  -1.964  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1       -3.757  -0.762  -2.336  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1       -3.547  -0.937  -3.314  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1       -2.848  -0.672  -1.312  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.622  -0.469  -0.187  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.215   1.152   0.865  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -6.218  -0.206   0.161  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -6.433  -1.334   1.173  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 3