REMARK  Name = BDB029262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.304  -0.445   1.550  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.255   0.972   1.408  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.719   0.760   1.734  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.017  -0.636   1.188  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.759  -1.369   1.237  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.658  -0.458  -1.201  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        4.846   0.001  -0.307  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        3.502  -0.527  -0.196  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        2.796  -1.526  -0.904  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.536  -1.603  -0.347  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.452  -0.686   0.677  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        2.650  -0.015   0.774  0.00  0.00    +0.148 A 
ATOM     13  N   LIG    1        2.904   0.978   1.681  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1        4.124   1.420   1.551  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        5.047   0.982   0.634  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1        5.970   1.392   0.613  0.00  0.00    +0.168 HD
BRANCH   6  17
ATOM     17  O   LIG    1        6.893   0.210  -1.110  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1        9.096   0.389  -2.015  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        7.763  -0.326  -2.107  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        0.317   1.919   2.323  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        1.290   1.842   2.197  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.885   0.767   3.165  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -1.281   1.473   3.479  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.534  -0.660  -0.272  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.043  -0.615  -0.449  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.885   0.103   0.416  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.236   0.103   0.148  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -7.567   0.611   0.620  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -8.177  -0.147  -0.605  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -6.771  -0.559  -0.927  0.00  0.00    -0.044 A 
ATOM     31  C   LIG    1       -5.991  -1.267  -1.806  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.614  -1.289  -1.562  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
BRANCH  24  33
ATOM     33  O   LIG    1       -1.948   0.396  -1.040  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -2.561   0.603  -1.768  0.00  0.00    +0.210 HD
ENDBRANCH  24  33
ENDBRANCH   4  24
TORSDOF 8