REMARK  Name = BDB004895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.727  -0.904  -3.645  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        0.923  -0.802  -2.343  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.500  -0.281  -2.520  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -1.424  -0.498  -1.477  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.747  -0.039  -1.552  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.150   0.659  -2.688  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.248   0.893  -3.728  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.933   0.432  -3.645  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1       -3.581  -0.302  -0.448  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1       -3.165  -0.827   0.309  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.930  -0.030  -0.319  0.00  0.00    +0.265 C 
ATOM     12  O   LIG    1       -5.658   0.406  -1.201  0.00  0.00    -0.268 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -5.444  -0.374   0.997  0.00  0.00    +0.104 A 
ATOM     14  N   LIG    1       -4.919   0.003   2.218  0.00  0.00    -0.346 N 
ATOM     15  C   LIG    1       -3.810   0.911   2.428  0.00  0.00    +0.149 C 
ATOM     16  C   LIG    1       -5.661  -0.542   3.235  0.00  0.00    +0.086 A 
ATOM     17  C   LIG    1       -6.717  -1.224   2.675  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -6.596  -1.097   1.272  0.00  0.00    +0.032 A 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  19
ATOM     19  N   LIG    1        1.583   0.104  -1.398  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        1.805   0.993  -1.837  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.686  -0.378  -0.673  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1        3.341   0.470   0.245  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.442  -0.074   0.935  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        5.121   0.764   1.845  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        4.708   2.092   2.068  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        3.613   2.612   1.398  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1        4.813  -1.357   0.724  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        4.097  -2.083  -0.142  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        2.934   1.806   0.495  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1        3.050  -1.657  -0.845  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1        6.311   0.320   2.638  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        6.852   1.061   3.453  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1        6.796  -0.938   2.439  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        6.331  -1.580   1.803  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        7.576  -1.256   2.995  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6