REMARK  Name = BDB035243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.714   2.563  -1.989  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        2.489   2.206  -1.179  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1        2.144   0.881  -1.010  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        1.078   0.539  -0.176  0.00  0.00    +0.263 A 
ATOM      5  O   LIG    1        0.872  -0.619   0.176  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        0.202   1.633   0.311  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1        0.665   2.928   0.062  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -0.043   4.024   0.561  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -1.200   3.838   1.308  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.674   2.548   1.537  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.009   1.419   1.014  0.00  0.00    -0.019 A 
ATOM     12  N   LIG    1        1.822   3.191  -0.675  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        2.975  -0.223  -1.533  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1        2.137  -1.293  -2.238  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        1.345  -1.020  -3.140  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        2.301  -2.588  -1.814  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        1.727  -3.273  -2.288  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.811  -3.010  -0.614  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        2.674  -4.176  -0.251  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.497  -1.980   0.251  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1        3.997  -0.788  -0.544  0.00  0.00    +0.044 C 
ENDBRANCH   3  13
BRANCH  11  22
ATOM     22  C   LIG    1       -1.567   0.023   1.262  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.007  -0.018   1.608  0.00  0.00    -0.296 NA
ATOM     24  C   LIG    1       -3.866   0.181   0.416  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -3.969  -1.033  -0.539  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -4.342  -2.282   0.147  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1       -5.280  -2.160   0.529  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -3.422  -2.511   1.274  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1       -3.356  -1.308   2.242  0.00  0.00    +0.100 C 
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 3