REMARK  Name = BDB058485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.851  -0.633   0.872  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.519  -0.691   0.438  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.113  -2.025   0.484  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.156  -2.408   0.115  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.031  -1.400  -0.312  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.633  -0.042  -0.379  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        1.195  -2.791   0.934  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        1.191  -4.215   1.100  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.329   0.312   0.010  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        2.293  -1.941   1.172  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.409  -2.260   1.550  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.518   0.984  -0.775  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.039   1.776  -1.202  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.927   1.080  -0.715  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.650   1.829  -1.663  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.036   1.842  -1.568  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -7.048   2.714  -2.657  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -6.744   1.180  -0.625  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.037   0.470   0.272  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -4.654   0.388   0.263  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.982   2.554  -2.696  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.391   3.139  -3.505  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        2.680   0.548   0.962  0.00  0.00    +0.158 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.580   0.715  -0.275  0.00  0.00    +0.134 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.561   1.803   0.921  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        4.513   1.926  -0.173  0.00  0.00    +0.030 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  O   LIG    1        2.761   0.918  -1.435  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1        2.267   0.088  -1.566  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7