REMARK  Name = BDB058608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.181   0.383  -1.227  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -2.601   0.771  -2.405  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -1.291   0.663  -2.204  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -0.969   0.208  -0.913  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -2.200   0.039  -0.314  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -8.664  -0.309   1.272  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -7.440  -0.333   1.230  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -6.686   0.059   0.025  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -5.281   0.001   0.069  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -4.620   0.386  -1.107  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -5.306   0.792  -2.227  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -6.650   0.827  -2.207  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -4.625  -0.424   1.246  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -5.330  -0.755   2.270  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -7.388   0.470  -1.106  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -6.688  -0.725   2.303  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.197  -0.995   3.133  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.384  -0.039  -0.316  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        1.155  -1.132  -1.064  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1        2.543  -1.336  -0.457  0.00  0.00    +0.085 C 
ATOM     21  N   LIG    1        3.310  -0.081  -0.445  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        2.614   0.952   0.333  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        1.228   1.238  -0.250  0.00  0.00    +0.023 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.707  -0.319  -0.057  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1        4.993  -0.716   1.395  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        6.509  -0.568   1.527  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        6.940   0.415   0.435  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        5.654   0.870  -0.251  0.00  0.00    +0.019 C 
ENDBRANCH  21  24
ENDBRANCH   4  18
TORSDOF 3