REMARK  Name = BDB031547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229  -0.884  -1.011  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.259  -0.897  -2.473  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  13
ATOM      3  C   LIG    1       -8.000   0.314   0.534  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -6.553  -0.025   0.366  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -6.002  -1.071   1.287  0.00  0.00    +0.252 A 
ATOM      6  O   LIG    1       -6.700  -1.619   2.134  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1       -4.676  -1.392   1.142  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1       -4.318  -2.097   1.771  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.843  -0.792   0.191  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -4.353   0.182  -0.664  0.00  0.00    +0.088 A 
ATOM     11  N   LIG    1       -3.617   0.815  -1.600  0.00  0.00    -0.253 NA
ATOM     12  C   LIG    1       -2.313   0.454  -1.685  0.00  0.00    +0.116 A 
ATOM     13  C   LIG    1       -1.705  -0.524  -0.893  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -2.505  -1.147   0.078  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -5.758   0.556  -0.549  0.00  0.00    +0.038 A 
ENDBRANCH   1  13
BRANCH   1  16
ATOM     16  N   LIG    1        0.532  -0.123  -0.008  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1        1.974  -0.454   0.059  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1        2.280  -1.400   1.207  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1        2.243   1.067   0.310  0.00  0.00    +0.204 C 
ATOM     20  C   LIG    1        0.869   1.262  -0.392  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        3.368   1.664  -0.378  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.626   1.335   0.048  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.630   1.283  -0.911  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.923   0.981  -0.644  0.00  0.00    -0.241 NA
ATOM     25  C   LIG    1        7.234   0.738   0.652  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1        6.300   0.787   1.683  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.975   1.096   1.372  0.00  0.00    +0.050 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.609   0.421   0.925  0.00  0.00    +0.119 C 
ATOM     29  N   LIG    1        9.709   0.158   1.192  0.00  0.00    -0.189 NA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  16
TORSDOF 5