REMARK  Name = BDB036788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.755  -0.382   0.558  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.362   0.314   0.137  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.235   0.898  -0.680  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.681  -1.385   1.260  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.685  -0.270   0.307  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.118  -0.972  -0.988  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.364  -1.179  -1.937  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.442  -1.333  -1.045  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.718  -1.777  -1.912  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.458  -0.654  -0.422  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.609  -0.713  -0.842  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.083   0.148   0.804  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.718   0.799   0.641  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1        5.609   0.169  -0.349  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        4.184   0.381  -0.276  0.00  0.00    -0.274 N 
ATOM     16  N   LIG    1        3.652   1.503  -0.791  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        2.345   1.366  -0.552  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1        2.027   0.158   0.110  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        3.258  -0.449   0.279  0.00  0.00    +0.121 A 
ENDBRANCH   1  18
TORSDOF 2