REMARK  Name = BDB057964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.653  -1.015  -2.349  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.261  -0.750  -1.119  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -2.167  -1.677  -0.611  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.467  -2.858  -1.290  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.878  -3.100  -2.530  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.976  -2.175  -3.064  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1        4.005   1.108  -1.079  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        3.121   2.105  -1.721  0.00  0.00    +0.125 C 
ATOM      9  C   LIG    1        2.233   1.434  -2.779  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        1.376   0.395  -2.200  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        0.295  -0.051  -2.951  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        0.084   0.317  -4.104  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.863  -0.222  -0.958  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        3.403  -0.224  -0.840  0.00  0.00    +0.125 C 
BRANCH   7  16
ATOM     15  C   LIG    1        5.991   0.955   0.362  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        4.828   1.616  -0.067  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        4.483   2.809   0.481  0.00  0.00    -0.239 NA
ATOM     18  C   LIG    1        5.256   3.339   1.456  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        6.399   2.737   1.938  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        6.774   1.525   1.377  0.00  0.00    +0.024 A 
BRANCH  15  22
ATOM     21  N   LIG    1        6.810  -1.283  -0.659  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        6.437  -0.270  -0.229  0.00  0.00    +0.103 C 
ENDBRANCH  15  22
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  O   LIG    1       -2.747  -1.446   0.642  0.00  0.00    -0.436 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.963  -0.784   0.616  0.00  0.00    +0.246 A 
ATOM     25  C   LIG    1       -4.498  -0.619   1.976  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -5.724   0.035   2.083  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1       -6.309   0.238   3.338  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -5.659  -0.216   4.487  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.431  -0.872   4.383  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.396   0.513   0.859  0.00  0.00    +0.273 A 
ATOM     31  O   LIG    1       -7.471   1.098   0.910  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.745   0.266  -0.328  0.00  0.00    -0.239 N 
ATOM     33  H   LIG    1       -6.186   0.593  -1.183  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -3.848  -1.077   3.129  0.00  0.00    +0.014 A 
ATOM     35  N   LIG    1       -4.545  -0.369  -0.467  0.00  0.00    -0.132 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5