REMARK  Name = BDB018454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.450   0.078   0.969  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -0.723   0.256   0.267  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -1.748   0.375   1.186  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1       -1.252   0.382   2.455  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.055   0.165   2.314  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1        5.046  -1.876   1.419  0.00  0.00    +0.049 C 
ATOM      7  C   LIG    1        4.003  -1.090   0.692  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.394  -0.517  -0.636  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        5.530  -0.689  -1.069  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        3.398   0.193  -1.304  0.00  0.00    -0.317 N 
ATOM     11  C   LIG    1        3.697   0.785  -2.599  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        2.131   0.377  -0.774  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1        1.762  -0.120   0.422  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        2.759  -0.885   1.158  0.00  0.00    +0.018 A 
ENDBRANCH   1  13
BRANCH   3  15
ATOM     15  C   LIG    1       -3.143   0.568   0.964  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1       -3.788   0.286  -0.251  0.00  0.00    +0.084 A 
ATOM     17  C   LIG    1       -5.143   0.618  -0.428  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -5.872   1.189   0.613  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.258   1.422   1.839  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.906   1.112   2.017  0.00  0.00    +0.028 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -3.183  -0.453  -1.369  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1       -3.120  -0.086  -2.525  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -2.759  -1.661  -0.963  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -2.438  -2.107  -1.774  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  16  21
ENDBRANCH   3  15
TORSDOF 4