REMARK  Name = BDB060930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494   0.076  -1.143  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        0.214  -0.680  -0.207  0.00  0.00    +0.127 A 
ATOM      3  N   LIG    1        1.457  -0.049  -0.125  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        1.459   0.980  -1.055  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1        2.642   1.762  -1.183  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        3.727   1.517  -0.412  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        3.675   0.422   0.566  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        2.563  -0.323   0.685  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1        0.312   1.067  -1.683  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.919   2.299  -0.526  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.684   2.470  -1.658  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1        5.609   1.982  -3.049  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1        6.739   3.276  -1.363  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1        6.685   3.645  -0.032  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1        5.587   3.063   0.466  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        5.220   3.274   1.886  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   2  17
ATOM     17  N   LIG    1       -0.059  -1.775   0.567  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        0.694  -2.201   1.100  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.126  -2.725   0.272  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1       -0.710  -3.655  -0.881  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -1.374  -5.034  -0.825  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -2.729  -4.987  -0.132  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -2.611  -4.496   1.312  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -1.442  -3.534   1.535  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH   2  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.897  -0.010  -1.649  0.00  0.00    +0.094 C 
BRANCH  25  29
ATOM     26  C   LIG    1       -4.493   2.098   1.117  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1       -3.448   2.771   0.487  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -2.607   2.090  -0.402  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.785   0.723  -0.667  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1       -3.851   0.062  -0.042  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.690   0.744   0.844  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -5.213   4.015   2.320  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.384   2.640   2.002  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 6