REMARK  Name = BDB060588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.888  -1.022   0.717  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.534  -0.199  -0.528  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1        0.098  -0.475  -0.990  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -0.879  -0.706   0.172  0.00  0.00    +0.072 C 
ATOM      5  C   LIG    1       -0.399  -0.095   1.487  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1        0.971  -0.638   1.907  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.622   1.019   0.057  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        6.958  -0.284  -0.310  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1        5.584  -0.266  -0.490  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1        4.893  -1.530  -0.738  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        4.166  -2.001   0.535  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        3.284  -0.999   1.173  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1        3.934   0.324   1.262  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        4.696   0.789  -0.002  0.00  0.00    +0.123 C 
ATOM     15  O   LIG    1        7.636  -1.302  -0.450  0.00  0.00    -0.276 OA
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  N   LIG    1       -2.237  -0.293  -0.160  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -2.940  -0.887   0.260  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.660   1.001  -0.383  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -4.054   1.346  -0.510  0.00  0.00    +0.108 A 
ATOM     20  N   LIG    1       -4.350   2.676  -0.634  0.00  0.00    -0.235 N 
ATOM     21  C   LIG    1       -5.703   2.846  -0.680  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1       -6.290   1.605  -0.637  0.00  0.00    +0.026 A 
ATOM     23  N   LIG    1       -3.450   3.666  -0.708  0.00  0.00    -0.155 NA
ATOM     24  C   LIG    1       -2.225   3.256  -0.639  0.00  0.00    +0.245 A 
ATOM     25  C   LIG    1       -5.248   0.627  -0.568  0.00  0.00    -0.015 A 
ATOM     26  N   LIG    1       -1.795   1.968  -0.469  0.00  0.00    -0.217 NA
BRANCH  25  27
ATOM     27  C   LIG    1       -5.455  -0.869  -0.556  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.704  -1.379   0.865  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -6.588  -1.320  -1.484  0.00  0.00    +0.012 C 
ENDBRANCH  25  27
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4