REMARK  Name = BDB016326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.286   1.008   2.360  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.687  -0.360   2.043  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.554  -0.275   1.138  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.744   0.163   1.601  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.646   0.158  -0.191  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.810   0.117  -0.990  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.759   0.580  -2.325  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.580   1.038  -2.906  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.414   1.028  -2.163  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -5.091  -0.329  -0.610  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.840  -0.184  -1.276  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.565  -0.959   0.491  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.775  -1.205   0.540  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.439   0.573  -0.835  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.659  -1.417   1.584  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.148   0.591  -0.083  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        0.915   0.021  -0.761  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.693  -0.449  -1.631  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -0.141   1.065   1.048  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.263  -0.078  -0.342  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        3.115  -0.808  -1.208  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        4.451  -0.889  -0.780  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1        4.869  -0.261   0.443  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.204  -0.511   0.589  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.535  -1.253  -0.508  0.00  0.00    -0.273 N 
ATOM     26  C   LIG    1        7.841  -1.778  -0.829  0.00  0.00    +0.172 C 
ATOM     27  C   LIG    1        4.081   0.466   1.321  0.00  0.00    +0.013 A 
ATOM     28  N   LIG    1        5.507  -1.494  -1.350  0.00  0.00    -0.171 NA
ATOM     29  C   LIG    1        2.743   0.531   0.865  0.00  0.00    +0.024 A 
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2