REMARK  Name = BDB028583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.210  -1.034   0.152  0.00  0.00    -0.448 OA
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.119   0.503   1.183  0.00  0.00    -0.226 OA
ATOM      3  C   LIG    1        0.991  -0.463   0.439  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1        2.039  -1.090  -0.209  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1        3.391  -0.548  -0.090  0.00  0.00    +0.119 C 
ATOM      6  C   LIG    1        4.151  -0.640  -1.425  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        4.219  -2.092  -1.945  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1        3.125  -2.991  -1.365  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1        1.832  -2.229  -1.099  0.00  0.00    +0.111 C 
BRANCH   6  10
ATOM     10  C   LIG    1        5.526   0.000  -1.361  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        5.855   1.038  -2.246  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        7.115   1.639  -2.202  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.062   1.210  -1.275  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.750   0.178  -0.393  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.491  -0.424  -0.435  0.00  0.00    +0.004 A 
ENDBRANCH   6  10
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.355  -0.404   0.758  0.00  0.00    +0.266 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.770   0.847  -0.026  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.350   0.449  -1.283  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -3.276   0.217  -1.067  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.794   1.728   0.721  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.114   1.062   0.815  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -5.199   2.022   0.470  0.00  0.00    +0.127 C 
ATOM     23  C   LIG    1       -6.549   1.423   0.738  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -6.777   0.339   1.563  0.00  0.00    -0.035 A 
ATOM     25  C   LIG    1       -8.163   0.018   1.642  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -8.931   0.875   0.882  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.632  -0.360   2.226  0.00  0.00    +0.051 C 
ATOM     28  S   LIG    1       -7.984   2.056   0.080  0.00  0.00    -0.100 S 
ATOM     29  C   LIG    1       -4.349   0.503   2.171  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7