REMARK  Name = BDB000997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.924   0.442   0.250  0.00  0.00    +0.114 A 
ATOM      2  N   LIG    1        2.966  -0.083  -0.480  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        2.907  -0.765  -1.227  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.138   0.484  -0.044  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        3.742   1.352   0.961  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        4.710   2.116   1.627  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        6.052   1.982   1.246  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        6.426   1.096   0.229  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        5.471   0.309  -0.438  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        2.382   1.306   1.139  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.134   0.103  -1.462  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        0.465   0.020   0.043  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -0.432   0.975   0.875  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -1.932   1.016   0.558  0.00  0.00    +0.085 C 
ATOM     15  N   LIG    1       -2.630  -0.252   0.309  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -2.179  -1.337   1.182  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -1.034  -2.099   0.513  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1        0.336  -1.430   0.581  0.00  0.00    +0.015 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -4.094  -0.086   0.311  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -4.616   1.058  -0.572  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -6.105   0.769  -0.713  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -6.240  -0.748  -0.623  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.844  -1.279  -0.303  0.00  0.00    +0.019 C 
ENDBRANCH  15  19
ENDBRANCH   1  12
BRANCH   9  24
ATOM     24  C   LIG    1        5.787  -0.659  -1.518  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        4.898  -1.173  -2.189  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        7.096  -0.992  -1.723  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        7.828  -0.791  -1.059  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        7.268  -1.732  -2.393  0.00  0.00    +0.145 HD
ENDBRANCH   9  24
TORSDOF 3