REMARK  Name = BDB036951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.475  -2.002  -0.204  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.896  -0.619   0.137  0.00  0.00    +0.045 A 
ATOM      3  N   LIG    1       -0.045   0.401   0.512  0.00  0.00    -0.256 N 
ATOM      4  N   LIG    1       -0.672   1.586   0.724  0.00  0.00    -0.170 NA
ATOM      5  C   LIG    1       -1.978   1.329   0.573  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -3.085   2.181   0.714  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.324   1.552   0.465  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.450   0.176   0.100  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.354  -0.699  -0.050  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.147  -0.051   0.202  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.417   0.424   0.574  0.00  0.00    +0.194 C 
ATOM     12  C   LIG    1        2.017  -0.761   1.309  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1        1.476  -1.349   2.242  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.286  -1.136   0.919  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.692  -1.911   1.428  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.103  -0.536  -0.006  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.249  -0.933  -0.191  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.538   0.668  -0.718  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1        2.024   0.584  -0.822  0.00  0.00    +0.045 C 
ENDBRANCH   3  11
TORSDOF 1