REMARK  Name = BDB001723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.632  -0.787  -1.564  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.293   0.480  -1.077  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.283   1.430  -0.820  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.632   1.132  -1.052  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.971  -0.135  -1.540  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.980  -1.086  -1.793  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.436  -1.823  -1.813  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.541  -2.871  -0.696  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.066  -2.332   0.639  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.925  -4.082   1.024  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.637  -2.665   0.745  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.492  -1.913   0.583  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        2.838  -0.603   0.337  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.158  -0.602   0.359  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.710  -1.833   0.603  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.083   0.511   0.158  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.475   0.340   0.206  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.335   1.424   0.009  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.814   2.692  -0.239  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.435   2.880  -0.290  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.576   1.796  -0.092  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.702   2.155  -0.752  0.00  0.00    +0.073 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.259   2.053   0.677  0.00  0.00    +0.219 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.175   0.937   0.868  0.00  0.00    -0.257 N 
ATOM     25  N   LIG    1       -4.878  -0.025   1.768  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1       -5.899  -0.880   1.678  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1       -6.851  -0.477   0.728  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -6.358   0.701   0.219  0.00  0.00    +0.109 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -4.929   3.342   1.088  0.00  0.00    +0.330 C 
ATOM     30  O   LIG    1       -4.820   3.903   2.168  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.728   3.886   0.143  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -6.099   4.684   0.581  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10