REMARK  Name = BDB031324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.957  -1.506   0.482  0.00  0.00    +0.118 A 
ATOM      2  N   LIG    1       -1.884  -0.139   0.210  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.532   0.176   0.101  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.131  -1.020   0.351  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1        1.536  -1.070   0.339  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.254   0.103   0.090  0.00  0.00    +0.123 A 
ATOM      7  C   LIG    1        1.572   1.302  -0.128  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        0.173   1.370  -0.117  0.00  0.00    +0.032 A 
ATOM      9  N   LIG    1       -0.752  -2.033   0.595  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -2.962   0.779   0.066  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.941   1.708  -0.988  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -4.007   2.572  -1.069  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -5.060   2.547  -0.157  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.964   3.539  -0.519  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.829   3.777  -0.062  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.484   4.190  -1.664  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -6.020   5.109  -2.257  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -5.104   1.656   0.887  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.267   3.577  -1.994  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -3.701   3.849  -2.782  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -4.034   0.759   0.997  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   1  23
ATOM     22  C   LIG    1       -3.441  -2.918   1.905  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -3.219  -2.331   0.510  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1       -3.140  -3.454  -0.529  0.00  0.00    +0.015 C 
ENDBRANCH   1  23
BRANCH   6  25
ATOM     25  O   LIG    1        3.618   0.212   0.046  0.00  0.00    -0.487 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.371  -0.980   0.256  0.00  0.00    +0.264 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.836  -0.631   0.155  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        6.510  -0.729  -1.071  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        7.861  -0.393  -1.164  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.549   0.053  -0.037  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.886   0.169   1.183  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.535  -0.167   1.278  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 5