REMARK  Name = BDB023416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.086  -1.533  -1.660  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.142  -1.436  -2.329  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.780  -2.577  -2.842  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        0.169  -3.828  -2.675  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.061  -3.932  -2.026  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.688  -2.789  -1.526  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.328  -0.211   0.026  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -1.723  -0.305  -1.168  0.00  0.00    +0.013 C 
BRANCH   7  11
ATOM      9  N   LIG    1       -3.485   0.993   1.709  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1       -3.436   0.116   2.219  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -2.935   1.082   0.453  0.00  0.00    +0.241 C 
ATOM     12  O   LIG    1       -2.920   2.062  -0.280  0.00  0.00    -0.270 OA
BRANCH   9  14
ATOM     13  C   LIG    1       -4.614   1.624   3.722  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -4.114   2.010   2.458  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -4.240   3.334   2.039  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -4.883   4.268   2.855  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.413   3.880   4.085  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.295   2.556   4.510  0.00  0.00    +0.024 A 
BRANCH  13  19
ATOM     19  N   LIG    1       -4.634   0.245   4.075  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1       -5.444  -0.189   3.631  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1       -4.724   0.135   5.084  0.00  0.00    +0.142 HD
ENDBRANCH  13  19
ENDBRANCH   9  14
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        2.119  -2.463  -3.533  0.00  0.00    +0.137 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.211  -2.687  -2.590  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1        3.055  -3.538  -2.055  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.671  -1.653  -1.767  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        3.691  -0.305  -2.148  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1        4.214   0.699  -1.309  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        4.769   0.341  -0.062  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        5.289   1.341   0.776  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.263   2.681   0.388  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.720   3.037  -0.843  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.797  -1.009   0.303  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1        4.201   2.053  -1.687  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        4.269  -1.988  -0.545  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7