REMARK  Name = BDB045967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.785   0.099   2.206  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.663   0.218   1.395  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.676  -0.765   0.906  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.794  -0.101   0.063  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -2.021   1.330   0.058  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.635  -1.944   1.204  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.258   1.464   0.883  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.955   2.628   1.165  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.081   2.535   1.976  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.487   1.291   2.487  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.567  -0.724  -0.445  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1       -0.155  -0.231  -1.839  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        0.972   0.796  -1.768  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.181   0.313  -1.087  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        1.925  -0.767  -0.117  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.575  -0.606   0.575  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.240  -0.054  -2.045  0.00  0.00    +0.121 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.587  -0.279  -1.406  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        5.285  -1.466  -1.600  0.00  0.00    +0.115 A 
ATOM     20  N   LIG    1        6.503  -1.729  -1.074  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        7.057  -0.758  -0.317  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        6.452   0.462  -0.064  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.200   0.703  -0.621  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  27
ATOM     24  N   LIG    1       -4.835  -2.359   2.477  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -5.185  -3.164   2.977  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.968  -2.483   1.957  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.344  -1.144   2.812  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -6.276  -1.085   3.609  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4