REMARK  Name = BDB014586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.106  -1.198   2.311  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1       -1.193  -1.394  -0.296  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -1.714  -0.628   0.508  0.00  0.00    +0.221 C 
ATOM      4  N   LIG    1       -1.193  -0.399   1.770  0.00  0.00    -0.312 N 
ATOM      5  H   LIG    1       -1.812   0.041   2.443  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1       -2.978   0.183   0.214  0.00  0.00    +0.105 C 
ATOM      7  C   LIG    1       -4.264  -0.384   0.803  0.00  0.00    -0.032 A 
ATOM      8  C   LIG    1       -5.464   0.261   0.435  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -6.686  -0.163   0.967  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.726  -1.245   1.843  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.548  -1.903   2.192  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.389   1.430  -0.513  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -4.435   1.149  -1.677  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -4.322  -1.476   1.677  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.172   0.358  -1.301  0.00  0.00    +0.018 C 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        1.214  -1.170   1.524  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        2.219  -1.844   2.301  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        3.069  -1.527   1.929  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.706   0.266   1.237  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.080   0.280   0.675  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.089  -0.242  -0.712  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        4.414  -0.062  -1.425  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.355   0.882  -0.980  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.561   1.046  -1.675  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.820   0.296  -2.822  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.881  -0.626  -3.278  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.092   1.667   0.278  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        4.683  -0.802  -2.586  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.611   1.655   0.676  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6