REMARK  Name = BDB044033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.170   0.096   0.305  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -0.019  -0.611   0.201  0.00  0.00    +0.136 A 
ATOM      3  O   LIG    1       -0.213  -1.932   0.533  0.00  0.00    -0.491 OA
ATOM      4  C   LIG    1       -1.494  -2.259  -0.056  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1       -2.297  -0.974  -0.235  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -1.178  -0.006  -0.271  0.00  0.00    -0.000 A 
ATOM      7  C   LIG    1       -1.193   1.327  -0.645  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -0.021   2.079  -0.516  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.160   1.446  -0.088  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        2.454  -1.803   1.150  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1        3.312  -2.205   1.498  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1        1.613  -2.367   1.117  0.00  0.00    +0.145 HD
ATOM     13  C   LIG    1        2.450  -0.487   0.788  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        3.474   0.183   0.868  0.00  0.00    -0.270 OA
ENDBRANCH   1  13
BRANCH   8  15
ATOM     15  N   LIG    1        0.027   3.389  -1.008  0.00  0.00    -0.358 N 
ATOM     16  H   LIG    1        0.785   3.947  -0.624  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1       -0.862   3.878  -0.985  0.00  0.00    +0.142 HD
ENDBRANCH   8  15
TORSDOF 2