REMARK  Name = BDB031690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.845  -2.231   0.680  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.150  -1.980   1.878  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.074  -1.303   1.816  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.647  -0.873   0.627  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.866  -0.230   1.012  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1       -3.048  -0.301   2.334  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -0.968  -1.136  -0.577  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1       -1.952  -0.919   2.790  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1       -1.867  -1.060   3.789  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.259  -1.815  -0.529  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.397   1.481  -0.585  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.031   0.308   0.092  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.602  -0.901  -0.278  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        3.454  -2.311   0.220  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.167  -2.964   0.680  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        4.429  -3.101  -0.624  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.018  -2.211  -1.505  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        5.715  -2.492  -2.176  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        4.637  -4.298  -0.527  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        3.253  -2.613   1.677  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.547  -0.911  -1.313  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.933   0.221  -2.000  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.342   1.432  -1.626  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        3.074   3.832  -0.790  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        2.764   2.609  -0.136  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -3.720   0.303   0.102  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1       -3.426   0.289  -0.864  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.639   1.360   0.305  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1       -5.732   1.473  -0.551  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -6.005   0.513  -1.664  0.00  0.00    +0.049 C 
ATOM     31  C   LIG    1       -6.583   2.537  -0.310  0.00  0.00    +0.119 A 
ATOM     32  N   LIG    1       -6.411   3.430   0.679  0.00  0.00    -0.243 NA
ATOM     33  C   LIG    1       -5.338   3.222   1.450  0.00  0.00    +0.223 A 
ATOM     34  N   LIG    1       -4.441   2.240   1.304  0.00  0.00    -0.220 NA
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4