REMARK  Name = BDB055084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.011  -0.676  -1.172  0.00  0.00    -0.285 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.377  -1.978  -1.144  0.00  0.00    +0.291 A 
ATOM      3  O   LIG    1       -0.432  -2.891  -0.748  0.00  0.00    -0.424 OA
ATOM      4  C   LIG    1       -1.077  -4.089  -0.812  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -2.369  -3.849  -1.243  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -3.246  -4.930  -1.393  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -2.767  -6.216  -1.097  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.449  -6.416  -0.663  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.562  -5.343  -0.508  0.00  0.00    +0.048 A 
ATOM     10  N   LIG    1       -2.545  -2.506  -1.450  0.00  0.00    -0.195 NA
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -1.980   0.321  -1.611  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.878   0.767  -0.455  0.00  0.00    +0.019 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.932   1.772  -0.928  0.00  0.00    +0.002 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.829   2.219   0.228  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.830   3.309  -0.164  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -7.693   1.736  -0.922  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -6.823   2.935  -1.267  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.326  -0.255  -0.764  0.00  0.00    +0.114 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.478  -0.231   0.763  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.866   0.193   1.177  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        2.898  -0.752   1.262  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.190  -0.363   1.626  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.463   0.977   1.885  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        3.437   1.920   1.832  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        2.146   1.534   1.467  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1        5.693   1.427   2.270  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.771   1.301   1.323  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1        7.816   2.323   1.807  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1        6.360   1.681  -0.112  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1        7.470  -0.070   1.374  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        7.372  -0.920   2.246  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.314  -0.290   0.341  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        8.694  -1.173   0.536  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 14