REMARK  Name = BDB016990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.844   0.442  -1.189  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.349   0.526  -2.476  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.043   0.579  -2.360  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.337   0.519  -1.053  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        0.794   0.440  -0.288  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.113   0.469   0.657  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.739   0.562   0.425  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.268   0.362  -0.865  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.103   0.081  -1.897  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.426   0.000  -1.646  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.979   0.183  -0.396  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        4.906   0.918   3.007  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.602   0.683   2.037  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.939   0.592   2.137  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.120   0.755   3.087  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.700   0.544  -0.567  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.320  -0.852  -0.543  0.00  0.00    +0.129 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.671  -0.861  -0.002  0.00  0.00    -0.300 N 
ATOM     19  C   LIG    1       -4.761  -0.368  -0.709  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1       -4.760  -0.014  -1.876  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1       -5.926  -0.264   0.245  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -5.451  -1.052   1.461  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1       -3.942  -0.917   1.411  0.00  0.00    +0.108 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6