REMARK  Name = BDB046389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.802   0.750  -0.070  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        1.760   0.391   0.794  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.412   0.451   0.386  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.104   0.890  -0.919  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1        1.153   1.243  -1.781  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.485   1.172  -1.361  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.603   0.032   1.411  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.898  -0.144   0.989  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -2.139   0.206   0.068  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -0.263  -0.151   2.578  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -2.978  -0.344   1.923  0.00  0.00    +0.143 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.217  -0.835   1.216  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -5.143   0.056   0.640  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -6.267  -0.452  -0.020  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -6.470  -1.831  -0.119  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.550  -2.715   0.435  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.427  -2.220   1.095  0.00  0.00    +0.009 A 
BRANCH  13  18
ATOM     18  O   LIG    1       -4.851   1.389   0.768  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1       -5.793   2.320   0.254  0.00  0.00    +0.277 C 
ENDBRANCH  13  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  20
ATOM     20  O   LIG    1       -1.218   0.957  -1.278  0.00  0.00    -0.494 OA
ATOM     21  C   LIG    1       -1.537   1.424  -2.584  0.00  0.00    +0.277 C 
ENDBRANCH   4  20
BRANCH   1  22
ATOM     22  C   LIG    1        4.241   0.661   0.386  0.00  0.00    +0.049 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.806  -0.766   0.301  0.00  0.00    +0.102 C 
BRANCH  23  25
ATOM     24  C   LIG    1        7.215   0.009   0.813  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.080  -0.952   1.144  0.00  0.00    +0.011 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        5.078  -1.161  -1.134  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1        5.353  -0.422  -2.065  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.022  -2.496  -1.319  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        5.218  -2.615  -2.271  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 10