REMARK  Name = BDB062858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.990   0.630   0.266  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1        1.091  -0.297   0.667  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.246   1.229   0.313  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -0.566   2.211  -0.341  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.205   0.580   1.226  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.413   0.051   0.791  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.053  -0.077  -0.512  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -4.283  -0.743  -0.358  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.452  -1.055   1.072  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1       -5.389  -1.629   1.587  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1       -5.140  -1.035  -1.403  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -4.744  -0.637  -2.677  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.521   0.030  -2.866  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.670   0.312  -1.785  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.249  -0.543   1.757  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -2.947  -0.631   3.106  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.732  -0.095   3.524  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -0.867   0.504   2.594  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        1.990   1.012  -0.720  0.00  0.00    +0.114 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.373   0.628  -0.211  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        3.998   1.476   0.723  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.258   1.175   1.243  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.914   0.014   0.845  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.306  -0.845  -0.067  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.044  -0.543  -0.588  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1        1.631   0.570  -2.149  0.00  0.00    +0.147 C 
BRANCH  26  28
ATOM     27  O   LIG    1        1.034  -1.684  -1.385  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1        1.150  -0.851  -2.268  0.00  0.00    +0.307 C 
BRANCH  28  29
ATOM     29  O   LIG    1        0.823  -1.160  -3.539  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        0.504  -2.087  -3.494  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 6