REMARK  Name = BDB009214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.800   0.716  -2.465  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.071  -0.318  -2.093  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.375  -0.378  -2.612  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.775   0.588  -3.546  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.902   1.604  -3.938  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.383   1.669  -3.399  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.315   0.402  -0.597  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        1.467   0.156  -0.103  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.182   0.818  -1.910  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        3.062   1.282  -2.626  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.767   0.198   1.850  0.00  0.00    +0.161 A 
ATOM     12  C   LIG    1        5.883   0.585   0.509  0.00  0.00    +0.160 A 
ATOM     13  C   LIG    1        4.764   0.663  -0.327  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1        3.499   0.356   0.171  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        3.377  -0.036   1.510  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        4.500  -0.114   2.344  0.00  0.00    +0.051 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.836  -0.230   3.938  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.928   0.156   2.575  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        7.122   0.893   0.007  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        7.025   1.156  -0.922  0.00  0.00    +0.292 HD
ENDBRANCH  12  19
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -2.315  -1.490  -2.204  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.521  -1.570  -0.692  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.613  -0.773  -0.050  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.497   0.127  -0.867  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.339   1.088  -0.022  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.932   0.382   1.191  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.830  -0.210   2.072  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -3.756  -0.905   1.280  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -2.835  -1.782   2.045  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -2.924  -1.912   3.261  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -1.878  -2.429   1.312  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -1.252  -3.050   1.814  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -1.708  -2.344  -0.034  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6