REMARK  Name = BDB016983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.665   0.044   0.107  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.175  -0.623   1.211  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -1.131  -0.624   1.068  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -1.512   0.013  -0.080  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1       -0.376   0.445  -0.705  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.380   0.075   0.466  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.037  -0.174   0.749  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.080   0.281  -0.147  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        2.399   0.956  -1.283  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        3.707   1.182  -1.528  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        4.727   0.766  -0.694  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.186  -1.020   2.451  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.400  -0.410   1.421  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.654  -0.106   1.039  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.210  -0.482   1.754  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -2.864   0.197  -0.565  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1       -3.743   1.028   0.377  0.00  0.00    +0.106 C 
ATOM     18  N   LIG    1       -5.066   0.383   0.365  0.00  0.00    -0.314 NA
ATOM     19  H   LIG    1       -5.579   0.691  -0.463  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.770  -1.046   0.234  0.00  0.00    +0.083 C 
ATOM     21  C   LIG    1       -3.635  -1.110  -0.773  0.00  0.00    +0.041 C 
ENDBRANCH   4  16
TORSDOF 4