REMARK  Name = BDB003129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.424   1.051  -1.015  0.00  0.00    -0.277 N 
ATOM      2  H   LIG    1       -0.737   0.218  -0.526  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.905   1.417  -0.954  0.00  0.00    +0.284 C 
ATOM      4  O   LIG    1        1.371   2.416  -1.496  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.753   1.052  -1.531  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.492   1.677  -1.689  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.369   2.821  -2.476  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.492   3.351  -3.114  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.737   2.742  -2.968  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.869   1.598  -2.179  0.00  0.00    +0.025 A 
BRANCH   5  15
ATOM     11  C   LIG    1       -6.030  -2.071   1.215  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -4.682  -2.039   0.654  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1       -3.808  -1.082   1.368  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -3.493   0.216   0.593  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -2.834  -0.098  -0.699  0.00  0.00    -0.326 N 
ATOM     16  C   LIG    1       -3.371  -1.305  -1.381  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -4.728  -1.759  -0.798  0.00  0.00    +0.103 C 
ENDBRANCH   5  15
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1        1.729   0.503  -0.172  0.00  0.00    +0.190 A 
ATOM     19  O   LIG    1        3.054   0.816  -0.018  0.00  0.00    -0.450 OA
ATOM     20  C   LIG    1        3.644  -0.154   0.738  0.00  0.00    +0.136 A 
ATOM     21  C   LIG    1        2.699  -1.101   1.077  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        1.474  -0.682   0.496  0.00  0.00    +0.055 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.071   0.016   1.005  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        5.768  -0.920   1.784  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1        7.138  -0.748   2.036  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1        7.831   0.352   1.519  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        7.145   1.285   0.745  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.780   1.116   0.492  0.00  0.00    +0.012 A 
BRANCH  25  29
ATOM     29  N   LIG    1        7.853  -1.736   2.853  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1        9.063  -1.555   3.053  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        7.205  -2.695   3.296  0.00  0.00    -0.126 OA
ENDBRANCH  25  29
ENDBRANCH  20  23
ENDBRANCH   3  18
TORSDOF 5