REMARK  Name = BDB043201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.380  -1.058   0.407  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.566  -1.993   0.561  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.848  -1.652   0.351  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.181  -0.354   0.016  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.161   0.557  -0.133  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        0.121   0.206   0.059  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.862  -2.619   0.521  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -3.722  -2.789  -0.672  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -4.845  -3.795  -0.367  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -4.323  -5.056   0.082  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -3.543  -4.867   1.275  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -2.362  -3.916   1.028  0.00  0.00    +0.134 C 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1        1.679  -1.508   0.636  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        1.637  -2.485   0.886  0.00  0.00    +0.155 HD
BRANCH  13  18
ATOM     15  C   LIG    1        5.562   0.179   0.566  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        4.454   0.980   0.273  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.162   0.435   0.293  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.942  -0.910   0.603  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.065  -1.702   0.893  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.359  -1.169   0.877  0.00  0.00    +0.017 A 
BRANCH  15  21
ATOM     21  C   LIG    1        6.955   0.701   0.560  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        7.933   0.015   0.813  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1        8.281   2.592   0.215  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        6.973   2.019   0.240  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   5  25
ATOM     25  N   LIG    1       -1.353   1.896  -0.484  0.00  0.00    -0.283 N 
ATOM     26  H   LIG    1       -0.444   2.340  -0.506  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.451   2.609  -0.805  0.00  0.00    +0.146 A 
ATOM     28  N   LIG    1       -3.716   2.187  -0.885  0.00  0.00    -0.158 NA
ATOM     29  N   LIG    1       -4.416   3.275  -1.235  0.00  0.00    -0.280 N 
ATOM     30  H   LIG    1       -5.420   3.182  -1.349  0.00  0.00    +0.189 HD
ATOM     31  C   LIG    1       -3.650   4.394  -1.396  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1       -4.221   5.701  -1.783  0.00  0.00    +0.065 C 
ATOM     33  C   LIG    1       -2.364   3.988  -1.122  0.00  0.00    +0.068 A 
ENDBRANCH  25  27
ENDBRANCH   5  25
TORSDOF 7