REMARK  Name = BDB055949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.284   0.494   0.348  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.210   0.434   1.248  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.011  -0.165   0.901  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.191  -0.712  -0.370  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.128  -0.676  -1.274  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.089  -0.076  -0.920  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.126   3.691  -0.077  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.505   2.303   0.469  0.00  0.00    +0.132 C 
ATOM      9  C   LIG    1       -3.661   1.199  -0.198  0.00  0.00    +0.158 C 
ATOM     10  N   LIG    1       -2.521   1.111   0.694  0.00  0.00    -0.226 N 
ATOM     11  C   LIG    1       -2.854   1.684   1.917  0.00  0.00    +0.408 C 
ATOM     12  O   LIG    1       -2.207   1.716   2.951  0.00  0.00    -0.226 OA
ATOM     13  O   LIG    1       -4.101   2.255   1.846  0.00  0.00    -0.442 OA
ATOM     14  C   LIG    1       -6.024   2.143   0.409  0.00  0.00    +0.058 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -4.379  -0.133  -0.392  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -4.930  -0.438  -1.649  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.604  -1.641  -1.862  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.741  -2.557  -0.822  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.205  -2.270   0.431  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.531  -1.067   0.647  0.00  0.00    +0.005 A 
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        2.466  -1.362  -0.793  0.00  0.00    +0.248 C 
ATOM     22  N   LIG    1        3.603  -0.866  -0.196  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        3.536  -0.049   0.407  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        2.417  -2.246  -1.641  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.945  -1.291  -0.362  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1        5.911  -0.547   0.338  0.00  0.00    +0.092 A 
ATOM     27  C   LIG    1        7.266  -0.923   0.215  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.227  -0.179   0.914  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        7.833   0.895   1.702  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.487   1.193   1.766  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        7.630  -2.015  -0.588  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        6.657  -2.740  -1.270  0.00  0.00    +0.003 A 
ATOM     33  N   LIG    1        5.529   0.502   1.108  0.00  0.00    -0.253 NA
ATOM     34  C   LIG    1        5.316  -2.380  -1.157  0.00  0.00    +0.025 A 
ENDBRANCH  22  25
ENDBRANCH   4  21
TORSDOF 4