REMARK  Name = BDB058125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.407   0.799  -0.128  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -3.437   0.679  -1.534  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -4.387   1.011  -2.239  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -2.222   0.130  -2.084  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -1.129  -0.256  -1.342  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.150  -0.754  -2.226  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -0.676  -0.646  -3.499  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -1.175  -0.113   0.081  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -1.938  -0.107  -3.401  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -2.572   0.084  -4.168  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.298   0.404   0.633  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.068  -0.465   0.992  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        1.100   0.307   0.997  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        2.159  -0.036   1.844  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.042  -1.120   2.719  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        0.879  -1.890   2.717  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -0.169  -1.568   1.851  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        3.398   0.774   1.875  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        4.058   1.044   0.682  0.00  0.00    -0.293 N 
ATOM     20  C   LIG    1        5.230   1.918   0.718  0.00  0.00    +0.136 C 
ATOM     21  C   LIG    1        5.539   2.478  -0.673  0.00  0.00    +0.179 C 
ATOM     22  O   LIG    1        5.768   1.468  -1.667  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1        5.148   0.208  -1.375  0.00  0.00    +0.179 C 
ATOM     24  C   LIG    1        3.839   0.340  -0.588  0.00  0.00    +0.136 C 
ATOM     25  O   LIG    1        3.793   1.177   2.967  0.00  0.00    -0.270 OA
ENDBRANCH  14  18
ENDBRANCH   8  12
BRANCH   1  26
ATOM     26  C   LIG    1       -4.596   1.307   0.558  0.00  0.00    +0.129 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.469   0.197   1.164  0.00  0.00    +0.048 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.875  -2.065   0.145  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -6.052  -0.738   0.140  0.00  0.00    -0.033 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5