REMARK  Name = BDB021012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.008  -0.675   0.016  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.227  -0.037   0.159  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.614   1.386   0.329  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -3.067   1.561   0.257  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1       -3.889   0.480   0.810  0.00  0.00    +0.129 C 
ATOM      6  C   LIG    1       -3.577  -0.852   0.142  0.00  0.00    +0.142 C 
ATOM      7  C   LIG    1       -3.661   2.804   0.072  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -4.867   2.994   0.231  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.766   3.940  -0.357  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -2.147  -1.055   0.080  0.00  0.00    -0.328 N 
ATOM     11  C   LIG    1       -1.482  -2.228  -0.125  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -0.184  -2.026  -0.176  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.867   1.118  -0.071  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1        3.510   0.154  -1.032  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.220  -0.411  -0.989  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        1.302  -0.053   0.004  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        1.683   0.877   0.972  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        2.953   1.464   0.930  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.527   2.615   0.772  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.120   1.657  -0.197  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  14  21
ATOM     21  C   LIG    1        4.455  -0.242  -2.142  0.00  0.00    +0.194 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.403  -1.642  -2.406  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1        4.273  -2.086  -1.550  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  14  21
ENDBRANCH   1  16
BRANCH  11  24
ATOM     24  C   LIG    1       -2.135  -3.626  -0.311  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -2.663  -4.353   0.898  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -1.416  -4.839   0.219  0.00  0.00    +0.012 C 
ENDBRANCH  11  24
TORSDOF 5