REMARK  Name = BDB060099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.518  -0.288   0.454  0.00  0.00    -0.083 NA
ATOM      2  C   LIG    1        0.406   0.798  -0.235  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1        1.359   1.937  -0.368  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.748   2.864  -1.222  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        1.389   4.035  -1.578  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        2.655   4.285  -1.040  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        3.254   3.355  -0.181  0.00  0.00    +0.118 A 
ATOM      8  N   LIG    1       -0.468   2.396  -1.689  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1       -1.170   2.945  -2.175  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1        2.617   2.165   0.166  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -0.794   1.181  -1.105  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -1.952   0.511  -1.258  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1       -2.526  -0.760  -0.774  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.821  -0.826  -1.316  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -4.694  -1.877  -1.097  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -4.250  -2.927  -0.294  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -2.952  -2.891   0.255  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1       -4.092   0.291  -2.094  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -4.952   0.478  -2.587  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -2.083  -1.808   0.014  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -3.019   1.158  -2.119  0.00  0.00    +0.251 C 
ATOM     22  O   LIG    1       -2.967   2.226  -2.702  0.00  0.00    -0.270 OA
ENDROOT
BRANCH  17  23
ATOM     23  N   LIG    1       -2.494  -4.010   1.093  0.00  0.00    +0.056 N 
ATOM     24  O   LIG    1       -3.291  -4.938   1.296  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -1.342  -3.963   1.548  0.00  0.00    -0.126 OA
ENDBRANCH  17  23
BRANCH   7  26
ATOM     26  O   LIG    1        4.496   3.652   0.301  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        4.798   2.910   0.852  0.00  0.00    +0.292 HD
ENDBRANCH   7  26
BRANCH   1  28
ATOM     28  O   LIG    1        1.703  -0.353   1.189  0.00  0.00    -0.392 OA
BRANCH  28  29
ATOM     29  C   LIG    1        1.816  -1.648   1.779  0.00  0.00    +0.277 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.023  -1.675   2.724  0.00  0.00    +0.121 C 
BRANCH  30  31
ATOM     31  N   LIG    1        4.309  -1.496   2.036  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1        5.067  -1.670   2.695  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1        4.400  -2.196   1.300  0.00  0.00    +0.118 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 6