REMARK  Name = BDB002164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.290   2.167   3.109  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.075   2.313   4.573  0.00  0.00    +0.250 C 
ATOM      3  O   LIG    1       -1.721   2.539   5.566  0.00  0.00    -0.282 OA
ATOM      4  C   LIG    1        0.359   2.024   4.338  0.00  0.00    +0.250 C 
ATOM      5  O   LIG    1        1.309   1.921   5.074  0.00  0.00    -0.282 OA
ATOM      6  C   LIG    1        0.043   1.914   2.887  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.417   2.271   2.434  0.00  0.00    -0.338 N 
ATOM      8  H   LIG    1       -3.308   2.402   2.915  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -2.556   1.960   1.012  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.720   0.440   0.787  0.00  0.00    +0.103 C 
BRANCH  10  11
ATOM     11  N   LIG    1       -2.958   0.050  -0.621  0.00  0.00    -0.301 NA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.784   0.330  -1.472  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -3.167   1.283  -3.391  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -2.035   1.523  -2.402  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  15
ATOM     15  C   LIG    1       -3.342  -1.371  -0.736  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.745  -1.666  -0.187  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.163  -3.099  -0.485  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   6  18
ATOM     18  N   LIG    1        0.820   1.655   1.854  0.00  0.00    -0.336 N 
ATOM     19  H   LIG    1        0.411   1.510   0.933  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.221   1.231   1.965  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        2.989   1.663   0.706  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        3.015   0.572  -0.356  0.00  0.00    +0.113 C 
ATOM     23  N   LIG    1        3.559  -0.682   0.157  0.00  0.00    -0.267 N 
ATOM     24  C   LIG    1        4.056  -1.671  -0.674  0.00  0.00    +0.403 C 
ATOM     25  O   LIG    1        4.541  -2.722  -0.271  0.00  0.00    -0.226 OA
ATOM     26  C   LIG    1        3.523  -0.905   1.597  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1        2.279  -0.284   2.213  0.00  0.00    +0.041 C 
BRANCH  24  28
ATOM     28  O   LIG    1        3.939  -1.344  -1.990  0.00  0.00    -0.451 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.441  -2.311  -2.924  0.00  0.00    +0.230 C 
ATOM     30  C   LIG    1        5.929  -2.108  -3.143  0.00  0.00    +0.048 C 
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 12