REMARK  Name = BDB002684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.809  -0.009  -0.055  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.738  -0.933  -1.262  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -0.662  -0.417  -2.566  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.549  -1.271  -3.663  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.508  -2.651  -3.472  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.586  -3.179  -2.185  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.700  -2.328  -1.086  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.551   0.729   0.201  0.00  0.00    +0.242 C 
ATOM      9  N   LIG    1        1.672  -0.087   0.129  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        1.524  -1.034  -0.204  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        0.561   1.928   0.491  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.017   0.268   0.363  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.982  -0.724   0.150  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        5.346  -0.465   0.360  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        5.746   0.802   0.791  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.789   1.793   1.007  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.432   1.527   0.795  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  C   LIG    1        6.321  -1.569   0.117  0.00  0.00    +0.160 C 
ATOM     19  O   LIG    1        5.913  -2.685  -0.199  0.00  0.00    -0.292 OA
ATOM     20  C   LIG    1        7.794  -1.291   0.268  0.00  0.00    +0.091 C 
ENDBRANCH  14  18
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  N   LIG    1       -1.866   1.009  -0.242  0.00  0.00    -0.329 N 
ATOM     22  H   LIG    1       -1.496   1.926   0.025  0.00  0.00    +0.147 HD
BRANCH  21  25
ATOM     23  C   LIG    1       -5.229   1.798   1.113  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -3.918   1.921   0.633  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -3.143   0.803   0.290  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -3.752  -0.452   0.370  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.059  -0.591   0.847  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.795   0.531   1.228  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -7.179   2.912   1.892  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.837   2.982   1.428  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 7