REMARK  Name = BDB027773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.206  -0.845   0.624  0.00  0.00    +0.180 A 
ATOM      2  N   LIG    1        1.376  -2.169   0.519  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.340  -2.876   0.049  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.882  -2.297  -0.292  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.921  -3.116  -0.799  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.703  -4.475  -0.929  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -0.545  -5.066  -0.593  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.961  -0.904  -0.100  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        0.434  -4.249  -0.122  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.088  -0.178   0.328  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1        2.570   1.244   1.081  0.00  0.00    -0.261 N 
ATOM     12  C   LIG    1        2.336  -0.111   1.174  0.00  0.00    +0.106 A 
ATOM     13  C   LIG    1        3.426  -0.604   1.876  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        4.228   0.505   2.172  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        3.713   1.635   1.694  0.00  0.00    -0.179 NA
BRANCH  11  17
ATOM     16  C   LIG    1        2.094   2.278  -1.108  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1        1.809   2.265   0.384  0.00  0.00    +0.141 C 
ENDBRANCH  11  17
ENDBRANCH   1  12
BRANCH   8  18
ATOM     18  N   LIG    1       -2.197  -0.248  -0.382  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -2.929  -0.732   0.133  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.283   1.230  -0.299  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -3.526   1.822   0.335  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -2.213   1.915   1.048  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -1.746   1.958  -1.507  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 4