REMARK  Name = BDB035028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.927   1.020   1.365  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.814   0.720  -0.108  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.952  -0.298  -0.500  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.282  -1.203   0.416  0.00  0.00    +0.161 C 
ATOM      5  C   LIG    1       -0.848  -0.813   0.504  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.122  -0.599   1.662  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        1.162  -0.169   1.298  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        1.224  -0.131  -0.089  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1        2.411   0.288  -0.707  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.479   0.654   0.124  0.00  0.00    -0.009 A 
ATOM     11  C   LIG    1        4.764   1.133  -0.486  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.315   0.563   1.508  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        2.185   0.168   2.113  0.00  0.00    -0.231 NA
ATOM     14  N   LIG    1       -0.009  -0.566  -0.593  0.00  0.00    -0.281 N 
ATOM     15  C   LIG    1       -0.306  -0.717  -1.972  0.00  0.00    +0.234 C 
ATOM     16  O   LIG    1        0.511  -0.379  -2.822  0.00  0.00    -0.272 OA
ATOM     17  C   LIG    1       -1.606  -1.379  -2.321  0.00  0.00    +0.118 C 
ATOM     18  C   LIG    1       -2.805  -0.536  -1.931  0.00  0.00    +0.117 C 
ATOM     19  O   LIG    1       -4.474   1.366  -0.923  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  12  20
ATOM     20  N   LIG    1        4.352   0.917   2.376  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.196   0.397   2.170  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        4.017   0.733   3.319  0.00  0.00    +0.144 HD
ENDBRANCH  12  20
TORSDOF 1