REMARK  Name = BDB052358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.410  -0.321  -1.001  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -2.300   0.895  -1.393  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -3.528   0.100  -0.857  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -2.538  -0.766  -0.021  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.986   2.355  -0.810  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -1.714   2.617   0.548  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.443   3.906   1.019  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.439   4.983   0.142  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.707   4.769  -1.204  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.975   3.477  -1.666  0.00  0.00    +0.004 A 
ENDBRANCH   2   5
BRANCH   4  11
ATOM     11  C   LIG    1       -2.826  -2.327   0.134  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -3.138  -3.164  -0.957  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.385  -4.532  -0.797  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.324  -5.108   0.466  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.017  -4.316   1.566  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.773  -2.950   1.397  0.00  0.00    +0.004 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  C   LIG    1       -0.008  -0.053  -0.411  0.00  0.00    +0.311 C 
ATOM     18  O   LIG    1        0.297  -0.137   0.777  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        0.878   0.290  -1.394  0.00  0.00    -0.464 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.211   0.609  -0.960  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.044  -0.666  -0.862  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.520  -0.412  -0.547  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.748   0.143   0.862  0.00  0.00    -0.000 C 
BRANCH  23  25
ATOM     24  C   LIG    1        7.057  -0.874   1.258  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.224   0.396   1.180  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  26
ATOM     26  C   LIG    1       -4.653   0.885  -0.155  0.00  0.00    +0.309 C 
ATOM     27  O   LIG    1       -5.529   1.558  -0.687  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -4.658   0.779   1.196  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1       -5.421   1.334   1.464  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH   3  26
TORSDOF 11