REMARK  Name = BDB018805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.635   1.326   0.597  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.415   0.750   0.263  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.851   1.197   0.698  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.862   0.392   0.161  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -3.212   0.630   0.432  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -3.516   1.720   1.262  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.503   2.526   1.803  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.283  -0.709  -0.672  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -1.161   2.264   1.523  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.204  -0.344  -0.700  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        1.757   2.275   1.375  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.279  -0.208  -0.120  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -4.533  -1.486   0.401  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -5.549  -2.285  -0.127  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.327  -1.815  -1.183  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.091  -0.547  -1.710  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.074   0.252  -1.181  0.00  0.00    +0.008 A 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     18  C   LIG    1        4.892  -0.487   0.567  0.00  0.00    +0.138 C 
ATOM     19  C   LIG    1        5.270   0.966   0.251  0.00  0.00    +0.148 C 
ATOM     20  N   LIG    1        4.013   1.618  -0.217  0.00  0.00    -0.255 N 
ATOM     21  C   LIG    1        2.881   0.661  -0.003  0.00  0.00    +0.172 C 
ATOM     22  C   LIG    1        3.435  -0.373   0.980  0.00  0.00    +0.065 C 
BRANCH  18  24
ATOM     23  C   LIG    1        5.132  -2.671  -0.348  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1        5.008  -1.280  -0.622  0.00  0.00    -0.378 OA
ENDBRANCH  18  24
BRANCH  20  25
ATOM     25  C   LIG    1        3.970   2.638  -1.082  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1        3.936   3.498  -1.855  0.00  0.00    -0.174 NA
ENDBRANCH  20  25
ENDBRANCH   1  21
TORSDOF 4