REMARK  Name = BDB028591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.927   1.994  -0.379  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        1.363   0.867  -0.586  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        2.340   0.296   0.189  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1        2.935   1.030   1.296  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1        4.103   0.156   1.776  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1        3.587  -1.255   1.456  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1        2.819  -1.077   0.151  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1        0.904   0.064  -1.600  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        1.597  -0.568  -1.972  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        5.459   0.405   1.133  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        6.609  -0.055   1.798  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        7.880   0.134   1.251  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.022   0.783   0.028  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.893   1.241  -0.647  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.621   1.052  -0.100  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1       -0.098   0.541  -2.533  0.00  0.00    +0.107 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.506   0.602  -1.936  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.022  -0.791  -1.544  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.382  -0.869  -0.994  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1       -3.496  -0.226   0.326  0.00  0.00    +0.119 C 
ATOM     21  C   LIG    1       -4.899  -0.281   0.897  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -6.011  -0.496   0.063  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -7.301  -0.510   0.611  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.489  -0.286   1.974  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.393  -0.053   2.800  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.807  -0.775  -1.405  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.104  -0.047   2.265  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.415  -0.356  -1.899  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 5