REMARK  Name = BDB028347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.495  -0.296  -0.270  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        0.370  -0.208   0.829  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.564  -0.928   0.849  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        1.850  -1.750  -0.234  0.00  0.00    +0.157 A 
ATOM      5  N   LIG    1        1.044  -1.880  -1.313  0.00  0.00    -0.259 NA
ATOM      6  C   LIG    1       -0.096  -1.147  -1.305  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -5.487  -0.049  -0.991  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -4.170   0.564  -0.680  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -4.151   1.932  -0.429  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -2.949   2.583  -0.139  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.759   1.854  -0.094  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.749   0.469  -0.331  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -5.414   2.687  -0.460  0.00  0.00    +0.272 A 
ATOM     14  O   LIG    1       -5.442   3.895  -0.252  0.00  0.00    -0.266 OA
ATOM     15  N   LIG    1       -6.547   1.960  -0.729  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -7.428   2.463  -0.750  0.00  0.00    +0.192 HD
ATOM     17  C   LIG    1       -2.973  -0.165  -0.622  0.00  0.00    +0.019 A 
ATOM     18  N   LIG    1       -6.600   0.627  -0.997  0.00  0.00    -0.174 NA
BRANCH   7  19
ATOM     19  C   LIG    1       -5.576  -1.537  -1.317  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.505  -2.307  -0.074  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -6.282  -2.019   0.525  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -5.676  -3.290  -0.285  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   3  23
ATOM     23  O   LIG    1        2.340  -0.811   1.978  0.00  0.00    -0.452 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.709  -0.896   1.811  0.00  0.00    +0.154 A 
ATOM     25  C   LIG    1        4.427   0.092   1.121  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        5.827  -0.079   1.032  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.573   0.883   0.337  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        5.936   1.973  -0.241  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.567   2.068  -0.101  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        6.456  -1.185   1.633  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        5.713  -2.131   2.336  0.00  0.00    +0.004 A 
ATOM     32  N   LIG    1        3.815   1.163   0.561  0.00  0.00    -0.251 NA
ATOM     33  C   LIG    1        4.337  -1.983   2.433  0.00  0.00    +0.048 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5