REMARK  Name = BDB051277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.278   2.035   0.422  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.721   1.402  -0.691  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.633   1.051  -0.682  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.449   1.343   0.425  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.877   2.003   1.525  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.477   2.354   1.521  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.869   0.969   0.416  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        3.358   0.105  -0.494  0.00  0.00    -0.164 NA
ATOM      9  N   LIG    1        4.668   0.003  -0.201  0.00  0.00    -0.215 N 
ATOM     10  C   LIG    1        5.037   0.777   0.870  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        6.335   0.810   1.323  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        6.608   1.384   2.112  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        7.317   0.056   0.708  0.00  0.00    +0.259 A 
ATOM     14  C   LIG    1        6.910  -0.786  -0.458  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        7.859  -1.569  -1.120  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.473  -2.355  -2.210  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.143  -2.361  -2.642  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.186  -1.583  -1.988  0.00  0.00    +0.028 A 
ATOM     19  O   LIG    1        8.477   0.077   1.103  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        5.579  -0.801  -0.900  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1        3.902   1.417   1.294  0.00  0.00    +0.076 A 
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  O   LIG    1       -2.959   3.616   0.675  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1       -2.702   2.438   0.437  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -3.676   1.480   0.184  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -3.455   0.026   0.178  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1       -4.657  -0.758   0.749  0.00  0.00    +0.074 C 
ATOM     27  N   LIG    1       -5.984  -0.387   0.210  0.00  0.00    -0.296 NA
ATOM     28  C   LIG    1       -6.511  -1.522  -0.544  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -5.952  -2.712   0.213  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -5.983   0.869  -0.549  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1       -4.534  -2.267   0.527  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1       -5.070   1.925   0.098  0.00  0.00    +0.123 C 
ENDBRANCH   1  23
TORSDOF 2