REMARK  Name = BDB019787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.997  -1.693  -0.857  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1       -0.966  -0.682  -0.828  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.099  -2.348  -1.685  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -0.241  -3.513  -2.039  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.070  -1.530  -2.146  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.468  -1.721  -3.428  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        2.523  -0.999  -3.855  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        3.202  -0.086  -3.063  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        2.781   0.106  -1.743  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1        1.694  -0.640  -1.274  0.00  0.00    +0.038 A 
BRANCH   9  11
ATOM     11  C   LIG    1        3.518   1.060  -0.838  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  N   LIG    1        4.761   0.450  -0.413  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        4.657  -0.515  -0.124  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.610   1.141   0.377  0.00  0.00    +0.176 C 
ATOM     15  N   LIG    1        6.626   0.394   0.880  0.00  0.00    -0.316 N 
ATOM     16  H   LIG    1        7.017  -0.259   0.211  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.582   1.319   1.454  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1        6.741   2.595   1.571  0.00  0.00    +0.163 C 
ATOM     19  N   LIG    1        5.569   2.405   0.672  0.00  0.00    -0.255 NA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.238  -2.327  -0.438  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -1.995  -3.407   0.622  0.00  0.00    +0.033 C 
BRANCH  20  24
ATOM     22  C   LIG    1       -5.262   0.007  -0.245  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -4.367  -0.980  -0.669  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -3.203  -1.265   0.058  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -2.949  -0.522   1.220  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -3.835   0.468   1.655  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -4.993   0.731   0.920  0.00  0.00    +0.091 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -7.314   1.139  -0.671  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -6.352   0.166  -1.058  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  26  30
ATOM     30  O   LIG    1       -3.447   1.106   2.803  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -4.327   2.094   3.324  0.00  0.00    +0.277 C 
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8