REMARK  Name = BDB008958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.577  -0.149   1.801  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -2.195   0.288   0.510  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.971  -0.486  -0.759  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.930  -0.092  -1.887  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.081   1.422  -1.976  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.610   1.998  -0.662  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.951   1.399   0.550  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.167   2.109   1.837  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -3.872   3.109   1.913  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -2.537   1.574   2.927  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -2.669   2.047   3.815  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -1.746   0.469   2.933  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.667  -1.373   1.831  0.00  0.00    +0.094 C 
BRANCH  13  17
ATOM     14  C   LIG    1        3.244  -0.602   0.315  0.00  0.00    +0.148 A 
ATOM     15  N   LIG    1        2.715   0.240   1.240  0.00  0.00    -0.248 NA
ATOM     16  C   LIG    1        1.474  -0.036   1.699  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1        0.706  -1.113   1.269  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        1.277  -1.972   0.328  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.558  -1.716  -0.161  0.00  0.00    +0.035 A 
BRANCH  14  20
ATOM     20  C   LIG    1        4.625  -0.254  -0.163  0.00  0.00    +0.357 C 
ATOM     21  O   LIG    1        5.276   0.709   0.215  0.00  0.00    -0.243 OA
BRANCH  20  23
ATOM     22  C   LIG    1        6.361  -0.907  -1.588  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        5.050  -1.166  -1.082  0.00  0.00    -0.463 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 4