REMARK  Name = BDB024820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.604  -0.771  -1.093  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.673   0.102  -0.505  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -5.185   1.418  -0.070  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -6.070   1.290   1.180  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.102   2.469   0.222  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.943   2.337  -0.744  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.377   0.959  -0.575  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.989   0.714  -0.541  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.054   1.604  -0.648  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.158   0.893  -0.529  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1        0.859  -0.447  -0.386  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1       -0.513  -0.582  -0.377  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -1.361  -1.679  -0.233  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.739  -1.427  -0.275  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.260  -0.139  -0.462  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -6.816  -0.565  -1.107  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -5.987  -2.702  -2.377  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -5.048  -1.844  -1.726  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        1.811  -1.546  -0.330  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.163  -1.954   1.090  0.00  0.00    +0.235 C 
ATOM     21  N   LIG    1        2.906  -3.130   1.248  0.00  0.00    -0.301 N 
ATOM     22  C   LIG    1        3.669  -3.748   0.173  0.00  0.00    +0.132 C 
ATOM     23  O   LIG    1        1.826  -1.287   2.071  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.273  -3.513   2.618  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.523  -2.797   3.144  0.00  0.00    +0.174 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.410  -1.378   3.114  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1        3.458  -1.142   3.101  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1        2.552   1.435  -0.568  0.00  0.00    +0.097 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.572   2.961  -0.570  0.00  0.00    +0.151 C 
BRANCH  29  30
ATOM     30  N   LIG    1        3.915   3.463  -0.794  0.00  0.00    -0.271 N 
ATOM     31  N   LIG    1        4.804   3.478   0.216  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1        5.911   3.972  -0.343  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        5.739   4.257  -1.711  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        4.433   3.918  -1.975  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 9