REMARK  Name = BDB021783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.016  -0.033  -0.073  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.818  -1.187   0.013  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.148  -0.931   0.268  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.471  -0.011   0.011  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.345  -2.311  -0.144  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.093   0.969   0.157  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.227   0.499   1.242  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.252  -0.608   0.844  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.414  -0.245  -0.396  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.047   0.881  -1.226  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.569   0.759  -1.194  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.528   0.675   0.348  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.379   1.542  -0.589  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.873  -0.831   0.246  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.225  -1.321  -0.621  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.326  -1.179   0.599  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -4.165  -1.864   0.560  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -5.484  -1.395   0.554  0.00  0.00    +0.068 A 
ATOM     19  C   LIG    1       -6.536  -2.259   0.848  0.00  0.00    +0.119 A 
ATOM     20  C   LIG    1       -6.300  -3.593   1.158  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1       -4.988  -4.063   1.175  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.925  -3.202   0.881  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  O   LIG    1       -7.802  -1.750   0.823  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1       -8.426  -2.465   1.028  0.00  0.00    +0.292 HD
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.396   1.210   0.612  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.327   2.109  -0.175  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -3.134   3.025   0.520  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.003   3.875  -0.166  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.071   3.828  -1.556  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.267   2.934  -2.260  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.397   2.084  -1.575  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8