REMARK  Name = BDB060096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.597   1.097   1.928  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.768   0.336   1.091  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.467   0.814   0.881  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.010   1.975   1.483  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.309   2.218   1.121  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.656   1.224   0.324  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        0.828   2.710   2.334  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.598   0.359   0.138  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.602  -0.829  -0.683  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.133   2.255   2.556  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.888   0.712   2.232  0.00  0.00    -0.454 OA
BRANCH  11  17
ATOM     12  C   LIG    1        7.207  -1.203  -1.873  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        6.309  -0.662  -0.801  0.00  0.00    +0.039 A 
ATOM     14  N   LIG    1        6.124  -1.430   0.300  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        5.321  -0.951   1.286  0.00  0.00    +0.081 A 
ATOM     16  C   LIG    1        5.153  -1.819   2.498  0.00  0.00    +0.069 C 
ATOM     17  C   LIG    1        4.669   0.277   1.188  0.00  0.00    +0.149 A 
ATOM     18  C   LIG    1        4.885   1.062   0.057  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        5.712   0.585  -0.955  0.00  0.00    +0.026 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.998   1.063  -0.315  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.485  -0.233   0.034  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.703  -0.601  -0.466  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.564   0.205  -1.209  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.787  -0.318  -1.656  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -7.139  -1.643  -1.390  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.281  -2.443  -0.641  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.073  -1.919  -0.177  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.718   0.513  -2.448  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -8.264   0.121  -3.462  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.917   1.732  -1.904  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.561   1.838  -1.001  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7