REMARK  Name = BDB045830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.144  -0.038  -0.069  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.298  -1.059   0.899  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        1.738  -1.510   0.585  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        2.742  -0.426   0.672  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        2.133   0.890   0.388  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.905   0.871  -0.549  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  16
ATOM      7  O   LIG    1       -3.454   1.913  -2.637  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -3.158   1.198  -1.685  0.00  0.00    +0.256 A 
ATOM      9  C   LIG    1       -4.171   0.518  -0.859  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -5.618   0.767  -1.159  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1       -6.547   0.270  -0.050  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -6.107  -1.096   0.462  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1       -4.676  -1.046   1.004  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -3.718  -0.283   0.118  0.00  0.00    +0.053 A 
ATOM     15  N   LIG    1       -2.389  -0.491   0.393  0.00  0.00    -0.220 NA
ATOM     16  C   LIG    1       -1.492   0.134  -0.310  0.00  0.00    +0.199 A 
ATOM     17  N   LIG    1       -1.864   0.974  -1.325  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1       -1.175   1.408  -1.910  0.00  0.00    +0.172 HD
ENDBRANCH   1  16
BRANCH   4  19
ATOM     19  C   LIG    1        3.895  -0.729  -0.190  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.105   0.130   0.102  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        5.575   0.293   1.410  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        6.700   1.074   1.622  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        7.387   1.686   0.635  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.928   1.507  -0.621  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        5.810   0.748  -0.935  0.00  0.00    +0.024 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 3