REMARK  Name = BDB016976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.148  -0.528   0.296  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.879  -1.302  -0.816  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.584  -1.530  -0.776  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.006  -0.931   0.307  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        0.990  -0.297   1.009  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.806   0.162   0.190  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.549  -0.301  -0.193  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.475  -0.043   0.647  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.600   0.648   1.809  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.827   1.107   2.136  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.953   0.894   1.366  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.906   0.747  -0.739  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.006  -0.069  -0.644  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.031  -1.279  -1.239  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.328  -1.898  -0.967  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.402  -0.975   0.650  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.171   0.203   0.037  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.601   0.185   0.387  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1       -4.198   1.528   0.203  0.00  0.00    +0.112 C 
ATOM     20  C   LIG    1       -5.728   1.460   0.097  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1       -6.172   0.733  -1.057  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -5.229  -0.250  -1.500  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -4.378  -0.832  -0.359  0.00  0.00    +0.112 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6