REMARK  Name = BDB059125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.436  -0.379  -1.772  0.00  0.00    +0.122 C 
ATOM      2  C   LIG    1       -2.029   0.599  -2.806  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1       -1.160   1.850  -2.690  0.00  0.00    +0.174 C 
ATOM      4  C   LIG    1        0.232   1.275  -2.415  0.00  0.00    +0.152 C 
ATOM      5  C   LIG    1       -0.064   0.202  -1.372  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -3.936  -2.800   1.619  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.464  -1.646   0.978  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -3.597  -0.243   1.159  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -2.859   0.379   0.173  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -2.295  -0.598  -0.615  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1       -2.647  -1.835  -0.128  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -2.264  -3.018  -0.637  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -2.779  -4.047   0.055  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -3.576  -4.006   1.141  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -4.746  -2.778   2.746  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.737  -3.682   3.204  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -4.618  -1.972   3.341  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -1.885   0.056  -4.128  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -1.909   0.834  -4.724  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -1.193   2.613  -3.895  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -0.492   3.286  -3.797  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  O   LIG    1        1.080   2.327  -1.957  0.00  0.00    -0.369 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.446   1.937  -1.790  0.00  0.00    +0.195 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.735   1.574  -0.357  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1        3.446   0.401  -0.051  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        3.740   0.035   1.256  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        3.312   0.881   2.300  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.610   0.503   3.617  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        4.306  -0.675   3.856  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.684  -1.437   2.766  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        2.611   2.063   2.011  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        4.416  -1.105   1.484  0.00  0.00    -0.255 NA
ATOM     33  C   LIG    1        2.330   2.408   0.690  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7