REMARK  Name = BDB008379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.102   1.150  -0.557  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1       -1.176   1.472  -0.038  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.688   2.759  -0.197  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -0.950   3.738  -0.883  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.315   3.430  -1.419  0.00  0.00    +0.073 A 
ATOM      6  N   LIG    1        1.054   4.338  -2.084  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        0.547   5.582  -2.235  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -0.683   5.977  -1.747  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.442   5.038  -1.061  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        0.811   2.146  -1.244  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.386  -1.117  -0.218  0.00  0.00    +0.006 C 
ATOM     12  C   LIG    1        2.703  -0.808  -1.560  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1        1.178  -0.874  -1.483  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1        0.626  -0.138  -0.341  0.00  0.00    -0.328 N 
ATOM     15  C   LIG    1        1.275  -0.322   0.965  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1        2.793  -0.192   0.859  0.00  0.00    +0.023 C 
BRANCH  11  17
ATOM     17  C   LIG    1        3.281  -2.596   0.203  0.00  0.00    +0.081 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.983  -3.500  -0.701  0.00  0.00    -0.330 NA
ATOM     19  H   LIG    1        4.955  -3.205  -0.798  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1        3.580  -3.463  -1.635  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   2  21
ATOM     21  N   LIG    1       -1.879   0.421   0.591  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1       -1.390  -0.475   0.540  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -3.108   0.449   1.210  0.00  0.00    +0.251 C 
ATOM     24  O   LIG    1       -3.803   1.450   1.355  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.566  -0.847   1.726  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1       -2.911  -2.125   1.635  0.00  0.00    +0.093 A 
ATOM     27  C   LIG    1       -3.646  -3.145   2.236  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1       -3.140  -4.436   2.222  0.00  0.00    +0.129 A 
ATOM     29  N   LIG    1       -1.956  -4.676   1.627  0.00  0.00    -0.243 NA
ATOM     30  C   LIG    1       -1.315  -3.639   1.071  0.00  0.00    +0.221 A 
ATOM     31  S   LIG    1       -5.106  -2.560   2.907  0.00  0.00    -0.093 S 
ATOM     32  N   LIG    1       -1.711  -2.361   1.038  0.00  0.00    -0.234 NA
ATOM     33  C   LIG    1       -4.772  -0.967   2.399  0.00  0.00    +0.061 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 5