REMARK  Name = BDB008891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.551   2.570  -0.788  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.057   1.211  -1.266  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.788   0.317  -0.315  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.011   0.726   1.114  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.501  -0.419   2.007  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.565  -1.252   1.305  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.024  -1.844   0.002  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.232  -0.854  -0.806  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.958  -1.221  -2.218  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -3.328  -2.290  -2.692  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -2.267  -0.297  -2.953  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -2.075  -0.526  -3.922  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -1.819   0.906  -2.509  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        2.072   1.728   0.143  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        0.851   1.778  -0.546  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -0.239   2.503  -0.039  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.078   3.212   1.160  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.129   3.161   1.858  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.195   2.417   1.356  0.00  0.00    +0.005 A 
BRANCH  14  20
ATOM     20  C   LIG    1        3.229   0.921  -0.399  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.354  -0.341   0.326  0.00  0.00    -0.310 NA
ATOM     22  H   LIG    1        2.477  -0.854   0.253  0.00  0.00    +0.122 HD
BRANCH  21  24
ATOM     23  C   LIG    1        4.175  -1.836  -1.488  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        4.468  -1.169  -0.143  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        4.729  -2.240   0.919  0.00  0.00    +0.023 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  16
TORSDOF 5