REMARK  Name = BDB001725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.324   0.737   0.910  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        1.734  -0.405   1.608  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        2.762  -1.210   1.114  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        3.404  -0.885  -0.087  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1        2.988   0.253  -0.789  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.961   1.059  -0.293  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.204   1.599   1.440  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.176   0.945   1.323  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.633   0.778  -0.128  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -2.664  -2.412  -0.441  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -3.377  -1.128  -0.339  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -2.996   0.191  -0.213  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1       -4.116   0.990  -0.162  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1       -5.125   0.144  -0.264  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1       -4.742  -1.168  -0.375  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -6.560   0.416  -0.271  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -7.511  -0.609  -0.386  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -8.879  -0.318  -0.390  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -9.312   1.002  -0.278  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -8.381   2.031  -0.162  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -7.014   1.740  -0.158  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        4.532  -1.742  -0.618  0.00  0.00    +0.073 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.940  -1.371  -0.126  0.00  0.00    +0.219 C 
BRANCH  23  24
ATOM     24  N   LIG    1        6.390  -0.078  -0.640  0.00  0.00    -0.257 N 
ATOM     25  N   LIG    1        7.018  -0.048  -1.840  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        7.264   1.248  -2.042  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        6.775   2.055  -1.002  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        6.203   1.172  -0.117  0.00  0.00    +0.109 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1        6.117  -1.526   1.369  0.00  0.00    +0.330 C 
ATOM     30  O   LIG    1        6.564  -0.727   2.175  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1        5.773  -2.762   1.809  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1        5.986  -2.734   2.767  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10