REMARK  Name = BDB006882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585  -0.333  -0.866  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.230  -1.236  -0.188  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.631  -1.324  -0.305  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.114  -2.386   0.449  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.469  -2.626   0.464  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.349  -1.864  -0.221  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.856  -0.825  -0.955  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.008  -3.144   1.128  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.208  -3.218   2.645  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.866  -4.551   0.537  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.496  -0.523  -1.024  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.220  -2.265   0.768  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.164   0.446  -1.723  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.084  -0.403  -0.482  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.354   0.641  -0.748  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.874   0.758  -0.948  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.410   2.034  -0.355  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.684   2.155   1.172  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.662   3.618   1.612  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -3.948   1.524   1.617  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -3.735   0.572   1.911  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.892   1.440   0.490  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -4.969  -0.788  -0.729  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.049  -1.131  -3.092  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.619  -1.628  -1.833  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.857   0.025  -1.704  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.097   1.379  -1.075  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        5.847   1.486   0.106  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.063   2.732   0.697  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.530   3.881   0.116  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.779   3.786  -1.054  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.561   2.542  -1.647  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6