REMARK  Name = BDB028464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.370  -1.457  -1.686  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.082  -2.010  -0.630  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.993  -2.202   0.402  0.00  0.00    -0.282 N 
ATOM      4  C   LIG    1       -3.341  -1.677   0.190  0.00  0.00    +0.153 C 
ATOM      5  C   LIG    1       -3.432  -0.218   0.672  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -3.004  -0.156   2.152  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -1.636  -0.807   2.383  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -1.595  -2.226   1.810  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        0.176  -2.476  -0.363  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        0.195  -3.333   0.172  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  O   LIG    1       -4.779   0.259   0.608  0.00  0.00    -0.487 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.230   0.788  -0.570  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.539   0.827  -1.782  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -5.134   1.399  -2.912  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.418   1.933  -2.837  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.113   1.896  -1.632  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.520   1.324  -0.505  0.00  0.00    +0.045 A 
ENDBRANCH  11  12
ENDBRANCH   5  11
BRANCH   9  18
ATOM     18  C   LIG    1        1.227  -2.366  -1.363  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.594  -2.763  -0.796  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.515  -4.117  -0.307  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.363  -4.687  -1.082  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.112  -1.864   0.349  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.384  -0.478  -0.071  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.655   0.000   0.511  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.938   1.463   0.237  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.899   2.346  -0.103  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        4.179   3.701  -0.323  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.479   4.183  -0.180  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.509   3.315   0.178  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.499   1.820  -0.293  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.240   1.962   0.389  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.303   0.436   0.340  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 7