REMARK  Name = BDB027503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.914  -0.452   1.333  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.024   0.433   0.726  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.350   0.478   1.235  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.999   1.862   1.025  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -1.886   2.373  -0.424  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -1.001   1.481  -1.292  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.280   1.086  -0.562  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        0.596  -1.217   2.241  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.995  -0.635   0.026  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        4.437   0.587   0.410  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.106   0.659   0.839  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.319  -0.493   0.867  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.873  -1.725   0.512  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.204  -1.792   0.088  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.272   0.200  -0.585  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        6.326  -0.791  -0.415  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        6.603  -1.738  -0.633  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        7.127   1.401  -0.403  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        9.616   0.455  -1.292  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.577  -0.355  -1.052  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -3.364   1.966   1.539  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -3.435   2.024   2.551  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.302   1.023   1.158  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -4.258   0.464  -0.058  0.00  0.00    -0.215 NA
ATOM     25  C   LIG    1       -5.190  -0.446  -0.371  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -6.189  -0.828   0.525  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.158  -1.789   0.174  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -7.127  -2.375  -1.088  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.135  -2.003  -1.990  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.140  -0.194   1.754  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.181  -1.047  -1.624  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -5.213   0.723   2.089  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5