REMARK  Name = BDB013928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.567  -1.030  -1.319  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.030  -1.150  -1.400  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.535  -1.163  -2.496  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.669  -1.295  -0.187  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.195  -2.157   0.877  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.793  -3.147   0.675  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.257  -3.915   1.761  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.732  -3.747   3.038  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.273  -2.817   3.242  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.339  -3.492  -0.686  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.732  -2.039   2.175  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.241  -2.400  -1.239  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.216   0.410  -0.138  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.947  -0.128  -0.230  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        1.192   0.353   0.246  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.152   0.024  -0.834  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.345   1.526   0.935  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        2.673   2.815   0.452  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.570   2.504   0.507  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.745   1.684   1.381  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.164   0.751   1.411  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.112  -0.998  -0.248  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.451   0.425  -0.703  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -1.999   1.582   0.018  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -2.351   2.854  -0.491  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -1.945   4.004   0.174  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -1.195   3.953   1.349  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -0.838   2.722   1.871  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -3.072   3.020  -1.603  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -3.498   1.913  -2.248  0.00  0.00    +0.115 A 
ATOM     31  C   LIG    1       -1.234   1.555   1.212  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -3.263   0.595  -1.856  0.00  0.00    -0.021 A 
BRANCH  32  33
ATOM     33  C   LIG    1       -3.837  -0.553  -2.664  0.00  0.00    +0.021 C 
ATOM     34  C   LIG    1       -5.228  -0.487  -3.256  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -4.966  -1.378  -2.083  0.00  0.00    +0.009 C 
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6