REMARK  Name = BDB046411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.863   1.271   0.576  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -0.048   0.205   0.457  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1        0.367  -1.125   0.680  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.730  -1.371   0.943  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        2.667  -0.326   1.002  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        2.219   0.988   0.828  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        2.100  -2.679   1.154  0.00  0.00    -0.506 OA
ATOM      8  H   LIG    1        3.068  -2.706   1.326  0.00  0.00    +0.292 HD
ENDBRANCH   4   7
BRANCH   5   9
ATOM      9  C   LIG    1        4.111  -0.619   1.275  0.00  0.00    +0.166 C 
ATOM     10  O   LIG    1        4.449  -1.790   1.450  0.00  0.00    -0.292 OA
BRANCH   9  11
ATOM     11  C   LIG    1        5.106   0.529   1.325  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        6.526   0.048   1.575  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  13
ATOM     13  C   LIG    1        0.450   2.724   0.490  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1        0.373   4.805  -0.930  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        0.858   3.367  -0.837  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  O   LIG    1       -1.380   0.464   0.227  0.00  0.00    -0.472 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.692   0.589  -1.175  0.00  0.00    +0.311 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.695  -0.485  -1.573  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.500  -1.240  -2.740  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -3.424  -2.218  -3.113  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.553  -2.448  -2.330  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.764  -1.701  -1.173  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.842  -0.723  -0.796  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  C   LIG    1       -2.302   1.968  -1.475  0.00  0.00    +0.351 C 
ATOM     25  O   LIG    1       -2.789   2.761  -0.684  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -2.269   2.284  -2.793  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1       -2.730   3.148  -2.835  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH   2  16
BRANCH   3  28
ATOM     28  C   LIG    1       -0.624  -2.272   0.714  0.00  0.00    +0.042 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.375  -2.338   2.045  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -2.362  -3.494   2.067  0.00  0.00    +0.004 C 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 12