REMARK  Name = BDB029276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.147  -0.275   1.243  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.226  -1.791   1.463  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.199  -2.305   0.471  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.872  -1.221   0.535  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.144   0.020   0.666  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -6.574   1.509  -1.126  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -5.630   0.982  -0.091  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.254   0.810  -0.298  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -3.342   1.017  -1.369  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -2.090   0.640  -0.932  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -2.204   0.219   0.370  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1       -3.517   0.310   0.767  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1       -3.986  -0.041   1.978  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -5.312   0.166   2.068  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1       -6.146   0.645   1.124  0.00  0.00    -0.240 NA
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  O   LIG    1       -0.801  -2.169   2.789  0.00  0.00    -0.385 OA
ATOM     17  H   LIG    1       -1.481  -1.832   3.404  0.00  0.00    +0.210 HD
ENDBRANCH   2  16
BRANCH   3  18
ATOM     18  O   LIG    1        0.301  -3.588   0.832  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.243  -3.620   1.811  0.00  0.00    +0.210 HD
ENDBRANCH   3  18
BRANCH   4  20
ATOM     20  C   LIG    1        1.799  -1.242  -0.699  0.00  0.00    +0.176 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.918  -0.224  -0.593  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.184  -0.623  -0.128  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.165   0.337  -0.029  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        6.595   0.579   0.352  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1        6.338   2.075  -0.029  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1        4.940   1.649  -0.363  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        3.720   2.086  -0.816  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.701   1.136  -0.929  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1        1.063  -1.009  -1.905  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1        0.928  -1.875  -2.326  0.00  0.00    +0.210 HD
ENDBRANCH  20  29
ENDBRANCH   4  20
TORSDOF 6