REMARK  Name = BDB000863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.564  -1.015   1.292  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.036  -1.151   1.447  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        0.370  -0.408   2.169  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.471  -2.149   0.635  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        0.208  -3.418   1.312  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -1.175  -3.227   1.954  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1       -1.868  -2.168   1.090  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        1.255  -3.928   2.309  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1        2.648  -4.043   1.685  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1        3.692  -3.107   2.295  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -0.821  -1.774   0.045  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1        3.290  -1.640   2.486  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.950   0.936   0.624  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.817   0.422   1.221  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.036   1.034   1.438  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.855   0.208   0.224  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.927   2.481   0.500  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        2.978   2.916  -0.616  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.958   2.864  -0.857  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.277   3.081   0.413  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.197   4.085   0.565  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH  11  22
ATOM     22  C   LIG    1       -0.927  -0.347  -0.549  0.00  0.00    +0.234 C 
ATOM     23  N   LIG    1       -2.213   0.063  -0.827  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -3.000  -0.540  -0.628  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1        0.055   0.336  -0.835  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -2.501   1.364  -1.412  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -3.913   1.768  -1.029  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1       -4.976   1.707  -1.950  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -6.268   2.067  -1.535  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.509   2.461  -0.219  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.462   2.509   0.696  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.754   1.330  -3.394  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -3.429   0.614  -3.637  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -4.173   2.164   0.295  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1       -2.289   1.345  -2.934  0.00  0.00    +0.027 C 
ENDBRANCH  23  26
ENDBRANCH  11  22
TORSDOF 5