REMARK  Name = BDB003956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.231   0.460   0.382  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.144   0.947  -0.471  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        1.158   0.333   0.131  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1        1.582  -0.885  -0.706  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1        1.041  -1.194  -1.768  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1        2.646  -1.649  -0.296  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1        2.775  -2.332  -1.037  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1        3.873  -1.098  -0.034  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.836  -1.317  -0.764  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.973  -0.254   1.207  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1        3.469   1.167   1.040  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1        2.287   1.381   0.096  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1        0.710  -0.080   1.543  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.746  -0.497   1.360  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1       -4.571  -0.739   0.060  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1       -3.311  -0.619   0.490  0.00  0.00    -0.200 NA
ATOM     17  C   LIG    1       -2.525   0.311  -0.087  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1       -3.025   1.121  -1.088  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1       -4.328   0.909  -1.471  0.00  0.00    +0.118 A 
ATOM     20  N   LIG    1       -5.119  -0.023  -0.920  0.00  0.00    -0.223 NA
BRANCH  15  21
ATOM     21  N   LIG    1       -5.351  -1.720   0.640  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1       -4.751  -2.444   1.008  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -6.069  -1.998  -0.013  0.00  0.00    +0.145 HD
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 2