REMARK  Name = BDB045462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.677   0.060  -1.226  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -0.416   1.004  -0.939  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.303  -0.712  -1.790  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1        0.191  -1.874  -2.173  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.911  -1.818  -0.970  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.579  -1.529  -1.300  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -2.011  -0.302  -0.945  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -2.797   0.644  -0.275  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.128   0.370   0.043  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.684  -0.859  -0.304  0.00  0.00    +0.013 A 
BRANCH   5  14
ATOM     11  N   LIG    1       -3.745  -4.168  -1.644  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -2.745  -4.168  -1.505  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.199  -5.060  -1.791  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.555  -3.116  -1.318  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -5.772  -3.256  -1.288  0.00  0.00    -0.270 OA
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  C   LIG    1        1.628  -0.060  -2.001  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        2.267   0.910  -1.331  0.00  0.00    +0.072 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.738   1.668  -0.176  0.00  0.00    +0.240 C 
ATOM     19  N   LIG    1        2.606   1.862   0.865  0.00  0.00    -0.298 N 
ATOM     20  C   LIG    1        3.941   1.301   1.030  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1        4.270   1.526   2.500  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        3.490   2.791   2.836  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        2.204   2.613   2.042  0.00  0.00    +0.108 C 
ATOM     24  O   LIG    1        0.589   2.100  -0.196  0.00  0.00    -0.271 OA
ENDBRANCH  17  18
ENDBRANCH   3  16
TORSDOF 4