REMARK  Name = BDB060084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.777   1.714   2.113  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.176   0.607   1.466  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1        1.116   0.134   1.505  0.00  0.00    -0.225 NA
ATOM      4  C   LIG    1        1.164  -0.913   0.704  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.084  -1.163   0.173  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1       -0.417  -2.256  -0.709  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1       -0.955  -0.203   0.638  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.322   0.026   0.424  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -2.893   1.137   1.060  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -2.143   1.955   1.901  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        1.240   2.467   3.122  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -0.167   2.623   2.970  0.00  0.00    -0.493 OA
ENDBRANCH   1  12
BRANCH   4  13
ATOM     13  C   LIG    1        2.377  -1.754   0.431  0.00  0.00    +0.303 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.466  -0.855   0.205  0.00  0.00    -0.484 OA
BRANCH  14  15
ATOM     15  C   LIG    1        4.718  -1.403   0.165  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        5.761  -0.484   0.307  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1        7.094  -0.908   0.275  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        7.382  -2.266   0.094  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        6.341  -3.183  -0.063  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.012  -2.754  -0.029  0.00  0.00    +0.046 A 
BRANCH  17  21
ATOM     21  C   LIG    1        8.161   0.108   0.439  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        7.995   1.294   0.657  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        9.397  -0.409   0.313  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        9.983   0.368   0.425  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   4  13
BRANCH   9  25
ATOM     25  O   LIG    1       -4.235   1.440   0.946  0.00  0.00    -0.454 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.779   1.396  -0.315  0.00  0.00    +0.149 A 
ATOM     27  C   LIG    1       -5.953   0.674  -0.526  0.00  0.00    +0.081 A 
ATOM     28  C   LIG    1       -6.618  -0.062   0.599  0.00  0.00    +0.069 C 
ATOM     29  N   LIG    1       -6.556   0.600  -1.743  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1       -5.998   1.279  -2.774  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -6.682   1.190  -4.105  0.00  0.00    +0.065 C 
ATOM     32  C   LIG    1       -4.846   2.046  -2.631  0.00  0.00    +0.026 A 
ATOM     33  C   LIG    1       -4.232   2.109  -1.382  0.00  0.00    +0.050 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 8