REMARK  Name = BDB052423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.011   1.158  -2.437  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.864   0.785  -1.333  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.501   0.191  -0.162  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.200  -0.227   0.324  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.173  -0.999   1.475  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.438  -1.483   2.143  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.672  -0.570   1.924  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.085  -1.355   1.884  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.205  -0.967   1.244  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.073  -0.206   0.144  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -0.113   0.181  -0.350  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -3.669   0.025   0.557  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.700   0.555  -0.255  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -4.196   1.014  -1.423  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -6.135   0.643   0.053  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.639   0.259   1.103  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.886   1.202  -0.942  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -6.411   1.530  -1.776  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.876   1.335  -0.812  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.178   0.243  -0.575  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.855   0.809  -1.345  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.561   0.099  -0.428  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.165  -0.636   0.600  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        5.559  -0.750   0.696  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        6.370  -0.120  -0.251  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.796   0.619  -1.288  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        4.402   0.721  -1.368  0.00  0.00    +0.025 A 
BRANCH  25  28
ATOM     28  N   LIG    1        7.830  -0.235  -0.156  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        8.298  -0.900   0.780  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        8.510   0.339  -1.018  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4