REMARK  Name = BDB025606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.548  -0.840   0.831  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.256  -0.717   0.240  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.915  -1.154   0.618  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.812  -0.394   0.286  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -0.953   0.635  -0.380  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -1.963  -2.419   1.339  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -3.454  -2.724   1.520  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -4.107  -1.976   0.358  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -5.321   2.236   1.483  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -4.795   1.135   0.714  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -4.899   1.181  -0.292  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -3.766   0.362   1.218  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -3.347   0.469   2.370  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -3.743  -4.109   1.426  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -3.392  -4.541   2.225  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.629  -0.622  -0.121  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.478  -1.637  -0.385  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.378  -1.192  -1.251  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        3.095   0.120  -1.535  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        1.984   0.498  -0.815  0.00  0.00    +0.139 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.875   0.936  -2.450  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.492   2.241  -2.793  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        4.263   3.003  -3.677  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.425   2.470  -4.229  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.818   1.175  -3.900  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.047   0.414  -3.017  0.00  0.00    +0.010 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1        0.795  -0.264   2.252  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1        1.009   1.252   2.290  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        1.964  -0.970   2.948  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6