REMARK  Name = BDB044741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.654  -0.433   0.138  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -2.180  -0.292   0.074  0.00  0.00    +0.014 A 
ATOM      3  N   LIG    1       -1.500   0.576   0.894  0.00  0.00    -0.358 N 
ATOM      4  H   LIG    1       -1.925   1.171   1.591  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -0.149   0.517   0.642  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.040  -0.415  -0.375  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.351  -0.672  -0.825  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        2.430   0.041  -0.286  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        2.205   0.924   0.772  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        0.914   1.198   1.243  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.244  -0.922  -0.721  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        3.743  -0.292  -0.654  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1        3.815  -0.670  -1.593  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        4.413   0.451  -0.484  0.00  0.00    +0.142 HD
ENDBRANCH   8  12
TORSDOF 1