REMARK  Name = BDB064737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.459   0.836  -0.356  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.228   1.227  -0.926  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -1.233   1.949  -2.133  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.432   2.267  -2.775  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.634   1.870  -2.205  0.00  0.00    +0.117 A 
ATOM      6  C   LIG    1       -3.658   1.164  -1.008  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.197  -1.207   0.979  0.00  0.00    +0.067 C 
ATOM      8  C   LIG    1       -2.562   0.082   0.902  0.00  0.00    +0.014 C 
BRANCH   7  12
ATOM      9  N   LIG    1       -3.133  -1.636   3.169  0.00  0.00    -0.326 N 
ATOM     10  H   LIG    1       -3.236  -2.252   3.964  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1       -3.838  -0.931   3.017  0.00  0.00    +0.145 HD
ATOM     12  C   LIG    1       -2.256  -2.026   2.209  0.00  0.00    +0.234 C 
ATOM     13  O   LIG    1       -1.581  -3.039   2.329  0.00  0.00    -0.271 OA
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  C   LIG    1        0.054   0.952  -0.255  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1        1.093   0.369  -0.874  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.377   0.082  -0.217  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        2.454  -0.362   1.111  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1        3.693  -0.641   1.685  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        4.867  -0.500   0.956  0.00  0.00    +0.090 A 
ATOM     20  C   LIG    1        4.789  -0.079  -0.366  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.560   0.208  -0.960  0.00  0.00    +0.053 A 
BRANCH  18  22
ATOM     22  O   LIG    1        3.711  -1.059   2.983  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        4.628  -1.264   3.229  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
BRANCH  20  24
ATOM     24  O   LIG    1        5.958   0.044  -1.060  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        5.755   0.337  -1.964  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH  15  16
ENDBRANCH   2  14
BRANCH   5  26
ATOM     26  O   LIG    1       -4.829   2.159  -2.794  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -4.662   2.642  -3.620  0.00  0.00    +0.292 HD
ENDBRANCH   5  26
TORSDOF 7