REMARK  Name = BDB024835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.721  -0.202  -1.131  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.503   0.472  -1.351  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        3.417   1.430  -2.476  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        3.072   0.708  -3.787  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        2.468   2.589  -2.174  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.079   2.074  -1.875  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.116   0.978  -0.848  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.065   0.677  -0.127  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -1.312   1.247  -0.235  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -2.076   0.649   0.659  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -1.369  -0.342   1.307  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1       -0.074  -0.326   0.829  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.055  -1.087   1.115  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.219  -0.798   0.384  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.289   0.211  -0.596  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.975  -0.989  -0.223  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.920  -0.558  -1.910  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.665   0.111  -2.075  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.881  -1.295   2.275  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.466  -2.559   1.673  0.00  0.00    +0.233 C 
ATOM     21  N   LIG    1       -2.187  -2.843   0.349  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -1.688  -2.162  -0.215  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -3.147  -3.324   2.366  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.729  -4.061  -0.305  0.00  0.00    +0.124 C 
ATOM     25  C   LIG    1       -4.244  -4.039  -0.567  0.00  0.00    +0.184 C 
ATOM     26  O   LIG    1       -4.033  -3.811  -1.984  0.00  0.00    -0.376 OA
ATOM     27  C   LIG    1       -2.616  -4.072  -1.835  0.00  0.00    +0.184 C 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -3.511   1.008   0.894  0.00  0.00    +0.097 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.814   1.682   2.231  0.00  0.00    +0.151 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.776   2.555   2.728  0.00  0.00    -0.271 N 
ATOM     31  N   LIG    1       -1.980   2.126   3.726  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1       -1.149   3.152   3.925  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -1.428   4.237   3.079  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -2.494   3.822   2.318  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 7