REMARK  Name = BDB008911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845  -0.145   1.031  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.382  -1.055   0.070  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.902  -1.596   0.161  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.760  -1.225   1.204  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        1.291  -0.327   2.173  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.006   0.214   2.083  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.233   0.454   0.917  0.00  0.00    +0.119 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -3.484  -1.216   2.144  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1       -3.299  -0.562   0.845  0.00  0.00    -0.298 NA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.580  -0.049   0.314  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -4.521   0.041  -1.230  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -5.585   0.966  -1.829  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -6.825   1.063  -0.953  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -6.497   1.613   0.436  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -5.083   1.272   0.919  0.00  0.00    +0.019 C 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        3.145  -1.819   1.327  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.940  -1.818   0.025  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1        4.643  -0.571  -0.413  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        4.553   0.692   0.398  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1        5.074   1.930  -0.340  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        6.365   1.625  -1.088  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        6.156   0.501  -2.104  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        5.354  -0.645  -1.552  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.384  -1.909  -2.329  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1        6.005  -2.006  -3.383  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        4.679  -2.955  -1.799  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1        4.688  -3.829  -2.314  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        3.968  -2.935  -0.641  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5