REMARK  Name = BDB001920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.683   0.376  -0.559  0.00  0.00    +0.103 A 
ATOM      2  C   LIG    1       -0.083  -0.594   0.143  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -1.375  -0.108   0.283  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1       -2.392  -0.751   0.891  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -2.034  -1.952   1.375  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -0.718  -2.474   1.250  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1       -0.441  -3.726   1.784  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -1.421  -4.478   2.435  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.706  -3.967   2.556  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.999  -2.711   2.025  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -1.422   1.127  -0.312  0.00  0.00    -0.312 N 
ATOM     12  N   LIG    1        0.279  -1.810   0.636  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -0.180   1.434  -0.827  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   1  16
ATOM     14  N   LIG    1        2.721  -0.870  -0.628  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        2.185  -1.570  -0.119  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        2.092   0.318  -0.932  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        2.675   1.260  -1.465  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.134  -1.079  -0.840  0.00  0.00    +0.104 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.959  -0.543   0.328  0.00  0.00    +0.018 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.277  -0.265   1.276  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        6.451  -0.796   0.115  0.00  0.00    -0.002 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH  13  22
ATOM     22  N   LIG    1        0.060   2.588  -1.494  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        1.041   2.782  -1.727  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1       -0.442   3.444  -1.276  0.00  0.00    +0.144 HD
ENDBRANCH  13  22
BRANCH  11  25
ATOM     25  C   LIG    1       -2.628   1.936  -0.404  0.00  0.00    +0.127 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.400   1.661  -1.693  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.533   2.656  -1.898  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -5.418   2.605  -0.783  0.00  0.00    -0.383 OA
ATOM     29  C   LIG    1       -6.521   3.488  -0.944  0.00  0.00    +0.193 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 9