REMARK  Name = BDB060074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.418   1.555   1.706  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.483   1.058   0.785  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.271   0.585   1.307  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.023   0.621   2.667  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.269   0.107   2.913  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.765  -0.227   1.736  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.917   1.145   3.567  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.850   0.029   0.735  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.033  -0.231  -0.674  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.137   1.618   3.071  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.631   2.070   1.298  0.00  0.00    -0.454 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -6.002  -0.060  -1.289  0.00  0.00    +0.218 A 
ATOM     13  C   LIG    1       -5.432  -0.772  -0.232  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.690  -2.236  -0.047  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -4.617  -0.068   0.661  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.391   1.292   0.461  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1       -5.021   1.909  -0.608  0.00  0.00    +0.160 A 
ATOM     18  N   LIG    1       -5.814   1.264  -1.494  0.00  0.00    -0.217 NA
BRANCH  12  20
ATOM     19  C   LIG    1       -7.364   0.037  -3.193  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1       -6.802  -0.770  -2.164  0.00  0.00    -0.479 OA
ENDBRANCH  12  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1        3.116  -0.829   1.510  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.777  -0.041   0.521  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.024  -0.446   0.133  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        5.595   0.326  -0.884  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        6.868   0.021  -1.379  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        7.574  -1.064  -0.850  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        7.009  -1.833   0.168  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.737  -1.525   0.659  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.504   0.814  -2.458  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        8.608   0.617  -2.929  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.724   1.816  -2.901  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        7.267   2.249  -3.592  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 8