REMARK  Name = BDB009286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.442   0.743   1.660  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.087   0.679   2.007  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.756   1.772   1.763  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.209   2.938   1.204  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.149   3.010   0.887  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.979   1.915   1.121  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.123  -3.499  -1.467  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        4.803  -2.257  -1.108  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        3.983  -1.070  -1.417  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.780  -0.845  -0.480  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        3.153  -0.902   0.940  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.307  -0.425   1.945  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        2.248  -0.919   3.070  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        4.006  -2.037   1.300  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        5.179  -2.232   0.321  0.00  0.00    +0.103 C 
ENDBRANCH   1  12
BRANCH   3  16
ATOM     16  C   LIG    1       -2.219   1.710   2.138  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.154   2.006   0.968  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -3.384   0.964  -0.082  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -2.754  -0.397   0.024  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -3.365  -1.424  -0.935  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.567  -0.827  -2.322  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.487   0.394  -2.263  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.181   1.307  -1.109  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.810   2.651  -1.147  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -5.552   2.992  -2.062  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.516   3.480  -0.098  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.936   4.403  -0.105  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -3.697   3.188   0.946  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 3