REMARK  Name = BDB013097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.583   1.356  -0.081  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.427   2.203   0.455  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.471   2.539  -0.373  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.238   3.410   0.342  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.751   3.541   1.555  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.600   2.052  -1.676  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.651   1.311  -2.182  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.607   2.776   1.628  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.419   0.987  -1.372  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.013   0.023   2.041  0.00  0.00    +0.126 A 
ATOM     11  N   LIG    1        3.317  -0.874   1.295  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1        2.228  -0.410   0.636  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        1.784   0.913   0.659  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.513   1.802   1.455  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.635   1.357   2.156  0.00  0.00    +0.033 A 
BRANCH  10  18
ATOM     16  C   LIG    1        6.899  -2.163   3.321  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        5.931  -1.578   2.411  0.00  0.00    -0.302 N 
ATOM     18  C   LIG    1        5.197  -0.461   2.831  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1        5.493   0.164   3.853  0.00  0.00    -0.268 OA
ATOM     20  C   LIG    1        5.765  -2.246   1.130  0.00  0.00    +0.132 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.699   2.359  -2.449  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.495   2.042  -3.397  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.031   1.876  -2.085  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.153   0.393  -2.315  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -4.082  -0.533  -1.278  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.972  -0.337   0.189  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -3.647  -1.769   0.611  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -4.129  -2.677  -0.404  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -4.196  -1.895  -1.529  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.384  -2.399  -2.799  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -4.444  -1.492  -3.856  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.327  -0.113  -3.618  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5