REMARK  Name = BDB060085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.678  -1.167  -0.624  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.458  -0.844   0.017  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1        0.461  -1.641   0.667  0.00  0.00    -0.225 NA
ATOM      4  C   LIG    1        1.438  -0.847   1.060  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        1.165   0.459   0.716  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        1.994   1.606   1.001  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1       -0.034   0.486   0.038  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -0.767   1.524  -0.551  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -1.982   1.190  -1.156  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -2.425  -0.133  -1.211  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -2.257  -2.424  -0.753  0.00  0.00    -0.490 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -2.272  -4.790  -0.495  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -1.500  -3.511  -0.221  0.00  0.00    +0.226 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1        2.661  -1.286   1.802  0.00  0.00    +0.303 C 
BRANCH  14  15
ATOM     15  O   LIG    1        3.795  -0.794   1.088  0.00  0.00    -0.484 OA
BRANCH  15  16
ATOM     16  C   LIG    1        5.027  -1.051   1.623  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        6.093  -0.485   0.917  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1        7.411  -0.665   1.356  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        7.660  -1.420   2.506  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        6.598  -1.989   3.209  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        5.284  -1.806   2.769  0.00  0.00    +0.046 A 
BRANCH  18  22
ATOM     22  C   LIG    1        8.567  -0.079   0.636  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        9.736  -0.204   0.947  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        8.203   0.644  -0.438  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        9.054   0.958  -0.809  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   4  14
BRANCH   9  26
ATOM     26  O   LIG    1       -2.670   2.226  -1.752  0.00  0.00    -0.454 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.027   2.289  -1.541  0.00  0.00    +0.149 A 
ATOM     28  C   LIG    1       -4.872   2.511  -2.628  0.00  0.00    +0.081 A 
ATOM     29  C   LIG    1       -4.323   2.627  -4.019  0.00  0.00    +0.069 C 
ATOM     30  N   LIG    1       -6.220   2.621  -2.494  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1       -6.747   2.524  -1.250  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -8.236   2.645  -1.124  0.00  0.00    +0.065 C 
ATOM     33  C   LIG    1       -5.964   2.326  -0.117  0.00  0.00    +0.026 A 
ATOM     34  C   LIG    1       -4.585   2.216  -0.265  0.00  0.00    +0.050 A 
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 9