REMARK  Name = BDB065034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.495  -1.009  -1.330  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.325  -0.937  -0.201  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -2.531  -1.661  -0.120  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1       -2.886  -2.464  -1.217  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.067  -2.540  -2.344  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.875  -1.816  -2.400  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.441  -1.569   1.115  0.00  0.00    +0.139 C 
ATOM      8  O   LIG    1       -2.781  -0.770   2.129  0.00  0.00    -0.439 OA
ATOM      9  C   LIG    1       -3.452  -0.075   3.078  0.00  0.00    +0.401 C 
ATOM     10  O   LIG    1       -2.876   0.462   4.016  0.00  0.00    -0.226 OA
ATOM     11  N   LIG    1       -4.802   0.039   2.936  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1       -5.254   0.523   3.701  0.00  0.00    +0.152 HD
ATOM     13  C   LIG    1       -5.589  -0.638   1.948  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -4.768  -0.915   0.713  0.00  0.00    +0.071 C 
ATOM     15  C   LIG    1       -3.626  -2.972   1.723  0.00  0.00    +0.061 C 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1        1.663  -0.144  -2.277  0.00  0.00    +0.267 C 
ATOM     17  N   LIG    1        0.686  -0.249  -1.305  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        0.871   0.302  -0.469  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        1.687  -0.695  -3.371  0.00  0.00    -0.268 OA
BRANCH  16  25
ATOM     20  C   LIG    1        6.023   2.115  -3.113  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1        4.819   1.815  -2.272  0.00  0.00    +0.042 A 
ATOM     22  N   LIG    1        4.747   2.404  -1.060  0.00  0.00    -0.237 NA
ATOM     23  C   LIG    1        3.677   2.148  -0.278  0.00  0.00    +0.133 A 
ATOM     24  N   LIG    1        2.673   1.338  -0.653  0.00  0.00    -0.227 NA
ATOM     25  C   LIG    1        2.787   0.765  -1.876  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        3.842   0.967  -2.734  0.00  0.00    +0.056 A 
BRANCH  23  27
ATOM     27  C   LIG    1        3.600   2.811   1.075  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1        4.687   2.571   2.099  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        3.322   1.989   2.314  0.00  0.00    +0.012 C 
ENDBRANCH  23  27
ENDBRANCH  16  25
ENDBRANCH   1  17
TORSDOF 4