REMARK  Name = BDB048133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.064  -0.711   0.662  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.707  -1.379  -0.868  0.00  0.00    +0.045 A 
ATOM      3  N   LIG    1        3.454  -0.293  -0.093  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1        2.180  -0.153   0.366  0.00  0.00    +0.156 A 
ATOM      5  C   LIG    1        1.139  -1.039   0.114  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        1.433  -2.150  -0.665  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        2.728  -2.327  -1.158  0.00  0.00    +0.027 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.116  -1.578  -1.380  0.00  0.00    +0.098 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.961  -0.295  -1.416  0.00  0.00    +0.232 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.638  -0.086  -0.046  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        7.840  -0.181   0.162  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.782   0.255   0.948  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        4.835   0.232   0.663  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        6.913  -0.473  -2.476  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        8.066   1.698  -2.416  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        7.225   0.713  -3.205  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.167  -1.602   0.494  0.00  0.00    +0.229 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.919  -1.339  -0.812  0.00  0.00    +0.047 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.347   0.120  -0.994  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.321   0.575   0.031  0.00  0.00    +0.083 A 
ATOM     21  C   LIG    1       -3.149   1.437   1.093  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1       -2.023   2.215   1.637  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1       -4.339   1.526   1.757  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1       -5.185   0.706   1.055  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1       -4.618   0.113   0.020  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -6.559   0.602   1.539  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -7.480  -0.196   0.844  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -8.801  -0.314   1.283  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -9.218   0.365   2.426  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.317   1.162   3.128  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.996   1.280   2.688  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12