REMARK  Name = BDB048894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.825   0.009  -0.215  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -1.869   0.531   0.521  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.783   1.014   1.401  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.039   0.303  -0.150  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -2.642  -0.362  -1.301  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -3.506  -0.774  -2.254  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -4.799  -0.484  -1.994  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -5.272   0.178  -0.865  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -4.373   0.600   0.113  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -1.287  -0.530  -1.330  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.938  -0.233  -0.416  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.578  -0.276  -0.743  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        0.586   0.071   0.188  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        0.990   0.458   1.473  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.346   0.503   1.807  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.318   0.160   0.865  0.00  0.00    +0.045 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.175  -0.590  -1.143  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        3.783  -0.595  -1.429  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 2