REMARK  Name = BDB054397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314  -0.038   0.856  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        0.149  -0.717  -0.353  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.119  -1.161  -0.760  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -2.257  -0.892   0.043  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -3.516  -1.353  -0.422  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -3.633  -2.093  -1.607  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.505  -2.353  -2.376  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.057  -0.198   1.261  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.261  -1.881  -1.959  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -0.789   0.234   1.656  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.783  -1.075   0.295  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -5.074   0.266   0.455  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1       -4.451   0.951   0.045  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -5.503  -2.000   0.649  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -6.285   0.717   1.062  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1       -7.366   1.343   0.227  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -6.579   2.187   1.187  0.00  0.00    +0.024 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  O   LIG    1        1.529   0.441   1.294  0.00  0.00    -0.455 OA
BRANCH  18  23
ATOM     19  C   LIG    1        6.045   0.932  -0.934  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        5.974  -0.338  -0.351  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        4.851  -0.777   0.338  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        3.749   0.092   0.445  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        2.622  -0.389   1.140  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        2.630  -1.652   1.722  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        3.762  -2.420   1.556  0.00  0.00    +0.115 A 
ATOM     26  C   LIG    1        3.815   1.375  -0.141  0.00  0.00    +0.017 A 
ATOM     27  N   LIG    1        4.854  -2.010   0.876  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        4.957   1.791  -0.826  0.00  0.00    +0.046 A 
BRANCH  19  30
ATOM     29  C   LIG    1        7.354   2.488  -2.169  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        7.223   1.203  -1.574  0.00  0.00    -0.495 OA
ENDBRANCH  19  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 5