REMARK  Name = BDB045851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.877   0.373  -0.158  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.062   1.365   0.145  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.421   1.046   0.226  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -1.859  -0.267   0.040  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.925  -1.237  -0.334  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.438  -0.929  -0.417  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        3.241  -0.237  -0.100  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        4.203   0.070  -0.025  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        3.011  -1.136   0.298  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        2.312   0.758  -0.234  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        2.662   1.923  -0.374  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   4  12
ATOM     12  N   LIG    1       -3.227  -0.555   0.003  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1       -3.797   0.077   0.556  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -3.452  -1.530   0.176  0.00  0.00    +0.142 HD
ENDBRANCH   4  12
TORSDOF 2