REMARK  Name = BDB028557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.249   0.616   1.168  0.00  0.00    -0.448 OA
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.508   2.061  -0.564  0.00  0.00    -0.226 OA
ATOM      3  C   LIG    1       -0.873   1.062   0.047  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1       -1.938   0.259  -0.334  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1       -2.531   0.500  -1.644  0.00  0.00    +0.111 C 
ATOM      6  C   LIG    1       -3.997   0.079  -1.705  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -4.174  -1.369  -1.226  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -3.607  -1.500   0.195  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1       -2.145  -1.064   0.250  0.00  0.00    +0.111 C 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.622  -1.883  -1.356  0.00  0.00    +0.038 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.670  -1.170  -0.535  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1       -7.353  -0.062  -1.056  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -8.320   0.597  -0.295  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.618   0.154   0.991  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.951  -0.950   1.517  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.984  -1.610   0.758  0.00  0.00    +0.003 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.834   1.422   1.685  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.117   1.255   0.845  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.126   2.207  -0.229  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        1.216   2.269  -0.591  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.367   1.485   1.734  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.702   1.168   1.193  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.886  -0.266   0.924  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.252  -0.596   0.356  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        7.029   0.395  -0.272  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        8.275   0.060  -0.819  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.737  -1.254  -0.765  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.962  -2.242  -0.162  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.548   1.825  -0.296  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.724  -1.916   0.394  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.045   1.949  -0.002  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8