REMARK  Name = BDB047580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.319  -1.412  -1.265  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.032  -1.332  -0.914  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.948  -0.737  -1.792  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        0.487  -0.242  -3.022  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.860  -0.353  -3.378  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.767  -0.945  -2.501  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.764  -3.115  -0.659  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.287  -2.028  -0.339  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -2.604  -1.358   0.843  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -3.682  -1.921   1.648  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -5.091  -1.654   1.078  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1       -5.385  -0.335   0.500  0.00  0.00    -0.314 NA
ATOM     13  H   LIG    1       -6.396  -0.203   0.489  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -4.732   0.794   1.147  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1       -3.323   1.026   0.597  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -2.278   0.042   1.114  0.00  0.00    +0.109 C 
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        2.402  -0.612  -1.405  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.732   0.553  -0.475  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        4.140   0.710  -0.021  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        4.426   1.777   0.828  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        5.728   1.987   1.297  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        6.751   1.123   0.911  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.473   0.053   0.061  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.341   2.686   1.228  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1        3.545   3.638   1.972  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        2.099   2.402   0.719  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1        1.338   3.023   0.974  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1        5.172  -0.156  -0.407  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1        1.787   1.370  -0.109  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 3