REMARK  Name = BDB048887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.952  -0.100  -0.031  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -0.196  -1.252  -0.261  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.207  -1.213  -0.263  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.919  -0.027  -0.038  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.145   1.120   0.192  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.260   1.092   0.197  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.896   0.212   0.069  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -5.798   1.057   0.222  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -4.559   0.435   0.096  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -4.434  -0.922  -0.163  0.00  0.00    +0.178 A 
ATOM     11  N   LIG    1       -3.122  -1.290  -0.242  0.00  0.00    -0.208 NA
ATOM     12  C   LIG    1       -2.417  -0.189  -0.037  0.00  0.00    +0.141 A 
ATOM     13  N   LIG    1       -5.493  -1.748  -0.312  0.00  0.00    -0.234 NA
ATOM     14  N   LIG    1       -3.267   0.878   0.171  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1       -2.982   1.828   0.348  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -6.692  -1.140  -0.189  0.00  0.00    +0.113 A 
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.292   0.010  -0.040  0.00  0.00    -0.330 N 
ATOM     18  C   LIG    1        4.087   1.232   0.043  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        5.500   0.779  -0.316  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        5.539  -0.652   0.189  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1        4.144  -1.174  -0.145  0.00  0.00    +0.105 C 
ENDBRANCH   4  17
TORSDOF 2