REMARK  Name = BDB065252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.810  -1.049  -0.562  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.499   0.116  -0.192  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        2.776   1.240   0.223  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.388   1.243   0.277  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.688   0.092  -0.107  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.719   0.174  -0.041  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1       -1.336   1.276   0.403  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1       -0.562   2.312   0.754  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1        0.778   2.351   0.699  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        1.415  -1.056  -0.516  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.926  -3.330  -1.274  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.583  -2.114  -0.946  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1       -1.231   3.498   1.220  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -1.762   4.464   1.596  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1       -1.487  -0.933  -0.432  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -1.207  -1.208  -1.370  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.954  -0.953  -0.303  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -3.667   0.042  -1.218  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -5.185  -0.112  -1.082  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -5.609   0.032   0.316  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -4.972  -0.970   1.183  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -3.447  -0.854   1.139  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -7.073   0.088   0.515  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -7.638   1.421   0.007  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -7.861  -1.081  -0.087  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1        4.867   0.058  -0.275  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.618   1.156   0.241  0.00  0.00    +0.264 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.099   0.852   0.173  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1        7.587  -0.446   0.389  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        8.959  -0.703   0.363  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.860   0.334   0.134  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.390   1.631  -0.068  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.018   1.890  -0.043  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 8