REMARK  Name = BDB049303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.664   0.790  -0.801  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1        0.612   0.304  -0.495  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.714   1.129  -0.787  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.444   2.359  -1.381  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.634   2.997  -1.594  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1        2.712   3.909  -2.019  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        3.668   2.212  -1.153  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        0.243   2.869  -1.714  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        3.134   1.041  -0.643  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.782   2.033  -1.414  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.952  -0.017  -0.071  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        3.611  -0.584   1.164  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.391  -1.605   1.717  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.513  -2.056   1.030  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        5.867  -1.504  -0.195  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.088  -0.485  -0.747  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  O   LIG    1        6.301  -3.048   1.532  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        5.925  -3.347   2.375  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   1  20
ATOM     19  O   LIG    1       -1.752  -1.257  -0.640  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1       -1.851  -0.044  -0.499  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1       -2.956   0.651  -0.040  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -2.837   1.635   0.167  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.225   0.120   0.280  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -4.584  -1.215   0.079  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -5.865  -1.648   0.420  0.00  0.00    +0.119 A 
ATOM     26  C   LIG    1       -6.800  -0.772   0.957  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1       -6.453   0.560   1.156  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.171   1.004   0.818  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -6.245  -2.946   0.238  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1       -5.488  -3.437  -0.125  0.00  0.00    +0.292 HD
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 5