REMARK  Name = BDB052427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.649   1.096   0.469  0.00  0.00    -0.258 N 
ATOM      2  C   LIG    1       -0.523   1.858   0.302  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        0.865   1.480   0.086  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        1.756   2.490  -0.242  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        1.306   3.912  -0.464  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.033   4.304   0.325  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        3.045   2.068  -0.438  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        3.431   0.787  -0.299  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        2.498  -0.119   0.036  0.00  0.00    +0.220 A 
ATOM     10  N   LIG    1        1.206   0.191   0.231  0.00  0.00    -0.212 NA
ATOM     11  C   LIG    1       -0.943   3.176   0.377  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.347   3.127   0.578  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1       -2.765   1.849   0.603  0.00  0.00    -0.165 NA
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -4.440  -3.477  -0.314  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.910  -2.157  -0.643  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1       -2.503  -2.240  -1.051  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -1.813  -0.883  -0.985  0.00  0.00    +0.042 C 
ATOM     18  C   LIG    1       -1.773  -0.362   0.460  0.00  0.00    +0.110 C 
ATOM     19  C   LIG    1       -2.955  -0.896   1.296  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1       -4.173  -1.172   0.418  0.00  0.00    +0.086 C 
ENDBRANCH   1  18
BRANCH  12  21
ATOM     21  C   LIG    1       -3.300   4.235   0.737  0.00  0.00    +0.262 C 
ATOM     22  O   LIG    1       -4.261   4.231   1.500  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1       -3.085   5.318  -0.080  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -2.585   5.174  -0.946  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.859   5.969  -0.102  0.00  0.00    +0.145 HD
ENDBRANCH  12  21
BRANCH   9  26
ATOM     26  N   LIG    1        2.804  -1.466   0.207  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        1.970  -1.960   0.484  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.980  -2.219   0.119  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        3.914  -3.597   0.384  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        5.049  -4.410   0.310  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        6.277  -3.857  -0.035  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.365  -2.495  -0.304  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        5.225  -1.686  -0.228  0.00  0.00    +0.023 A 
ENDBRANCH  26  28
ENDBRANCH   9  26
TORSDOF 4