REMARK  Name = BDB055667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.438   0.881  -2.176  0.00  0.00    +0.085 A 
ATOM      2  N   LIG    1       -4.332   0.156  -1.412  0.00  0.00    -0.346 N 
ATOM      3  H   LIG    1       -5.315   0.027  -1.600  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.684  -0.387  -0.334  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -4.235  -1.159   0.616  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -3.384  -1.587   1.580  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1       -2.046  -1.220   1.545  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1       -1.509  -0.420   0.566  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -0.148  -0.237   0.827  0.00  0.00    +0.074 A 
ATOM     10  N   LIG    1        0.183  -0.929   1.935  0.00  0.00    -0.177 NA
ATOM     11  N   LIG    1       -0.974  -1.493   2.346  0.00  0.00    -0.275 N 
ATOM     12  H   LIG    1       -0.954  -2.061   3.185  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.377   0.022  -0.445  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.189   0.808  -1.581  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        0.895   0.541   0.070  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        1.561  -0.348  -1.001  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        2.916   0.202  -1.429  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        3.902   0.251  -0.261  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        3.230   0.447   1.099  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1        1.930   1.238   0.983  0.00  0.00    +0.010 C 
ENDBRANCH   9  15
TORSDOF 1