REMARK  Name = BDB052362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.755  -0.223  -1.242  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.917  -1.229  -0.941  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -2.631  -0.040  -0.220  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -1.835   0.906  -1.175  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.575  -2.570  -0.166  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -0.662  -3.501  -0.705  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.337  -4.691  -0.047  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.924  -4.989   1.177  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.835  -4.099   1.736  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -2.154  -2.911   1.071  0.00  0.00    +0.004 A 
ENDBRANCH   2   5
BRANCH   4  11
ATOM     11  C   LIG    1       -1.385   2.357  -0.722  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -0.569   3.147  -1.560  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -0.151   4.431  -1.199  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -0.541   4.968   0.021  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.348   4.223   0.872  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.764   2.940   0.502  0.00  0.00    +0.004 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  C   LIG    1        0.426  -0.164  -0.222  0.00  0.00    +0.317 C 
ATOM     18  O   LIG    1        0.313   0.004   0.991  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        1.642  -0.337  -0.885  0.00  0.00    -0.425 OA
BRANCH  19  22
ATOM     20  C   LIG    1        3.000   2.148  -0.292  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        3.457   0.821   0.233  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1        2.751  -0.359  -0.034  0.00  0.00    +0.135 A 
ATOM     23  C   LIG    1        3.165  -1.594   0.470  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.290  -1.655   1.288  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.995  -0.489   1.588  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.580   0.741   1.068  0.00  0.00    +0.007 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  27
ATOM     27  C   LIG    1       -4.174   0.016  -0.221  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1       -4.865   0.137   0.787  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -4.773  -0.082  -1.439  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -4.171  -0.179  -2.196  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   3  27
TORSDOF 7