REMARK  Name = BDB015564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.057  -0.769   0.836  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.595  -1.948   0.417  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.714  -1.975   0.138  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.550  -0.928   0.225  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.034   0.234   0.670  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.291   0.354   1.025  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.997   1.357   0.792  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.618   2.617   0.498  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.490   3.694   0.588  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.991   5.018   0.253  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.821   3.548   0.972  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.634   4.462   1.073  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.254   2.159   1.269  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.386   1.145   1.175  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.435  -0.843   1.168  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.711  -1.812   0.984  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.447   0.185   0.279  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.739  -0.500  -0.960  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.903   1.526   0.302  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.901   0.154   1.315  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.967   1.171   0.915  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.224   1.748  -1.550  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.681   0.858  -0.404  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -1.186  -3.193  -0.336  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.546  -3.379  -0.263  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -3.179  -3.506   0.976  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -2.469  -3.422   2.111  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -4.549  -3.726   1.056  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.296  -3.833  -0.116  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -4.667  -3.728  -1.361  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -3.283  -3.512  -1.450  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -2.617  -3.393  -2.790  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8