REMARK  Name = BDB046755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.654  -0.286  -0.014  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1       -0.189   0.576   0.252  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.076  -1.453  -0.048  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.354  -2.589  -0.210  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.552   1.191  -0.053  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -2.044  -0.118  -0.214  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -2.904  -1.166  -0.562  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.271  -0.925  -0.742  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.768   0.373  -0.572  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.915   1.426  -0.229  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -5.229  -2.010  -1.111  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1       -6.414  -1.738  -1.296  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -4.722  -3.421  -1.251  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1       -1.616   2.140   0.283  0.00  0.00    -0.490 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.512   3.815   1.794  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.020   3.506   0.391  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        1.540  -1.292   0.172  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        2.241  -0.175  -0.306  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        3.622  -0.053  -0.090  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        4.291  -1.075   0.598  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.598  -2.209   1.042  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        2.220  -2.314   0.843  0.00  0.00    +0.028 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.331   1.122  -0.577  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.664   1.140  -0.940  0.00  0.00    +0.203 A 
ATOM     25  O   LIG    1        6.033   2.376  -1.365  0.00  0.00    -0.470 OA
ATOM     26  C   LIG    1        4.935   3.167  -1.280  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        3.863   2.448  -0.807  0.00  0.00    +0.049 A 
ENDBRANCH  19  23
BRANCH  21  28
ATOM     28  C   LIG    1        4.357  -3.258   1.758  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        5.276  -3.003   2.516  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        3.962  -4.512   1.456  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        3.322  -4.590   0.724  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH   3  17
TORSDOF 8