REMARK  Name = BDB022059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.343  -1.294   0.970  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.365  -0.117   0.791  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -0.842  -0.495  -0.063  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.569  -1.627   0.515  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.952  -1.791   0.456  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -3.560  -2.666   1.065  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.796  -2.614   1.261  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.654  -2.658   0.799  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.726  -0.869  -0.403  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -4.542   0.143   0.158  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1       -5.238   0.998  -0.731  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -6.049   2.024  -0.218  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -6.181   2.215   1.158  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.506   1.381   2.041  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.115   0.813  -2.120  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -4.317  -0.203  -2.647  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.696   0.357   1.548  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -3.622  -1.048  -1.790  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  20
ATOM     19  O   LIG    1        2.678  -1.850  -0.967  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.537  -1.139   0.021  0.00  0.00    +0.220 C 
ATOM     21  N   LIG    1        3.383  -0.109   0.409  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        3.137   0.380   1.262  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.560   0.327  -0.236  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        5.255   1.389   0.357  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        6.433   1.874  -0.232  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1        6.929   1.310  -1.412  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        6.236   0.255  -2.000  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.060  -0.232  -1.416  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  N   LIG    1        7.151   2.987   0.399  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1        6.674   3.462   1.440  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        8.190   3.388  -0.145  0.00  0.00    -0.126 OA
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 4