REMARK  Name = BDB028582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.117   0.248   2.240  0.00  0.00    -0.448 OA
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.444   1.697   0.512  0.00  0.00    -0.226 OA
ATOM      3  C   LIG    1        0.884   0.872   1.302  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1        2.199   0.450   1.337  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1        3.140   0.953   0.337  0.00  0.00    +0.119 C 
ATOM      6  C   LIG    1        4.176  -0.118  -0.049  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        4.956  -0.626   1.181  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1        4.207  -0.413   2.498  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1        2.696  -0.501   2.328  0.00  0.00    +0.111 C 
BRANCH   6  10
ATOM     10  C   LIG    1        5.106   0.340  -1.157  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        5.900   1.490  -1.022  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.750   1.894  -2.053  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.819   1.155  -3.231  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.041   0.010  -3.378  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.190  -0.396  -2.348  0.00  0.00    +0.004 A 
ENDBRANCH   6  10
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.272   0.634   2.263  0.00  0.00    +0.266 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.059  -0.182   1.227  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.927  -1.571   1.581  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -0.968  -1.742   1.634  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -3.550   0.226   1.233  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.309  -0.113   0.005  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -5.669   0.473   0.107  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -6.522   0.052  -1.055  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -6.237  -1.066  -1.810  0.00  0.00    -0.005 A 
ATOM     25  S   LIG    1       -7.368  -1.351  -3.043  0.00  0.00    -0.101 S 
ATOM     26  C   LIG    1       -8.276   0.029  -2.590  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.033  -1.919  -1.594  0.00  0.00    +0.058 C 
ATOM     28  C   LIG    1       -7.717   0.687  -1.514  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -4.379  -1.574  -0.236  0.00  0.00    +0.090 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7