REMARK  Name = BDB060026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.325   0.988  -0.553  0.00  0.00    +0.098 A 
ATOM      2  N   LIG    1        2.043   1.402  -0.673  0.00  0.00    -0.208 NA
ATOM      3  C   LIG    1        1.871   2.639  -1.204  0.00  0.00    +0.262 A 
ATOM      4  C   LIG    1        2.941   3.466  -1.598  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1        4.213   3.045  -1.463  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        4.383   1.805  -0.936  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.627  -1.336  -1.228  0.00  0.00    +0.070 C 
ATOM      8  C   LIG    1        4.504  -1.339  -0.260  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1        3.529  -0.335  -0.000  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        2.713  -0.913   0.951  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1        1.501  -0.486   1.679  0.00  0.00    +0.090 C 
ATOM     12  O   LIG    1        3.180  -2.153   1.254  0.00  0.00    -0.359 OA
ATOM     13  N   LIG    1        4.306  -2.420   0.504  0.00  0.00    -0.083 NA
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  N   LIG    1        2.741   4.749  -2.135  0.00  0.00    -0.339 N 
ATOM     15  H   LIG    1        2.226   5.311  -1.462  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        2.152   4.673  -2.961  0.00  0.00    +0.144 HD
ENDBRANCH   4  14
BRANCH   3  17
ATOM     17  O   LIG    1        0.586   3.159  -1.353  0.00  0.00    -0.435 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.448   2.279  -1.149  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1       -1.178   2.366   0.038  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.263   1.512   0.244  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -2.609   0.580  -0.743  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -1.899   0.526  -1.948  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -0.814   1.379  -2.151  0.00  0.00    +0.047 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.773  -0.315  -0.563  0.00  0.00    +0.247 C 
ATOM     25  N   LIG    1       -3.827  -1.125   0.564  0.00  0.00    -0.293 N 
ATOM     26  C   LIG    1       -2.689  -1.431   1.439  0.00  0.00    +0.136 C 
ATOM     27  C   LIG    1       -2.790  -2.855   1.998  0.00  0.00    +0.179 C 
ATOM     28  O   LIG    1       -3.995  -3.087   2.739  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -5.135  -2.365   2.247  0.00  0.00    +0.179 C 
ATOM     30  C   LIG    1       -5.020  -1.944   0.780  0.00  0.00    +0.136 C 
ATOM     31  O   LIG    1       -4.649  -0.299  -1.424  0.00  0.00    -0.270 OA
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5