REMARK  Name = BDB037018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.176  -0.015  -0.476  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.474  -1.001   0.168  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        2.435  -1.261   1.358  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.706  -1.718  -0.852  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        1.944  -1.082  -2.059  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.340  -1.490  -3.232  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.476  -2.585  -3.150  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.231  -3.229  -1.912  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.830  -2.791  -0.719  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        2.860   0.029  -1.806  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.207   0.835  -2.649  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.031   4.907  -0.696  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.731   3.738  -0.456  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        3.709   3.440   0.405  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.141   4.245   0.639  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.062   2.231   0.447  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        1.847   2.175   0.670  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.945   0.990   0.245  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        5.327   1.299  -0.339  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.383   2.576  -1.163  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.642  -3.429   0.512  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1        1.106  -2.914   1.273  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.727  -3.796   0.917  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.660  -2.705   1.335  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1       -2.859  -3.015   1.935  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1       -3.478  -1.881   2.235  0.00  0.00    -0.065 NA
ATOM     27  N   LIG    1       -2.710  -0.872   1.789  0.00  0.00    -0.251 N 
ATOM     28  C   LIG    1       -1.557  -1.331   1.230  0.00  0.00    +0.135 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -3.138   0.501   1.951  0.00  0.00    +0.151 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.052   0.976   0.823  0.00  0.00    +0.038 C 
ATOM     31  C   LIG    1       -4.444   2.437   0.968  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1       -5.699   2.603   0.283  0.00  0.00    -0.379 OA
ATOM     33  C   LIG    1       -6.208   1.307  -0.056  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -5.417   0.307   0.765  0.00  0.00    +0.035 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 6