REMARK  Name = BDB059466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.075   0.947  -0.274  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.224  -0.412  -0.248  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -0.947  -0.937  -0.161  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -0.855  -2.332  -0.155  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1       -1.996  -3.053  -0.197  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -3.178  -2.422  -0.251  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1       -0.091   0.201  -0.123  0.00  0.00    +0.105 A 
ATOM      8  N   LIG    1       -3.374  -1.102  -0.301  0.00  0.00    -0.195 NA
ATOM      9  N   LIG    1       -0.785   1.347  -0.219  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.361   0.239  -0.002  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.978  -0.276   1.153  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.376  -0.226   1.230  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        4.091   0.337   0.186  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.416   0.263   0.505  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        5.419  -0.334   1.730  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.527   0.873  -0.964  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        4.239  -0.660   2.203  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        2.129   0.813  -1.033  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        6.616  -0.536   2.283  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        7.406  -0.555   1.650  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        6.648  -1.244   3.006  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   7  10
BRANCH   1  23
ATOM     22  C   LIG    1       -3.047   2.755  -1.644  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -3.146   1.934  -0.358  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.172   2.835   0.877  0.00  0.00    +0.032 C 
ENDBRANCH   1  23
BRANCH   6  25
ATOM     25  N   LIG    1       -4.303  -3.224  -0.309  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -5.052  -2.731  -0.774  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -4.048  -4.131  -0.675  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
BRANCH   4  28
ATOM     28  N   LIG    1        0.327  -3.054  -0.125  0.00  0.00    -0.342 N 
ATOM     29  H   LIG    1        1.139  -2.607   0.275  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        0.167  -4.020   0.134  0.00  0.00    +0.144 HD
ENDBRANCH   4  28
TORSDOF 5