REMARK  Name = BDB015458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.667  -1.466  -1.325  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.942  -0.525  -0.408  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.104   0.027   0.234  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.402  -0.356  -0.019  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.563  -1.282  -1.020  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.559  -1.878  -1.666  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.240   1.034   1.266  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.499   2.152   1.394  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.209   3.125   2.338  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.064   4.301   2.401  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.875   3.027   3.210  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        1.154   3.868   4.062  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.726   1.804   3.057  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.913   1.688   3.958  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.401   0.889   2.131  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -2.807  -1.850  -1.379  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.669  -2.527  -2.133  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -4.096  -0.836  -1.742  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -3.713   0.544  -1.530  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -4.608  -1.286  -3.018  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -5.281  -1.296  -0.461  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -5.622  -2.782  -0.509  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.544  -0.450  -0.597  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        1.705  -2.092  -2.008  0.00  0.00    -0.422 OA
BRANCH  24  28
ATOM     25  C   LIG    1        5.809   0.458  -2.761  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.014  -0.523  -1.950  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        3.708  -0.859  -2.329  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        2.974  -1.786  -1.581  0.00  0.00    +0.150 A 
ATOM     29  C   LIG    1        3.555  -2.419  -0.478  0.00  0.00    +0.083 A 
ATOM     30 CL   LIG    1        2.705  -3.610   0.438  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        4.861  -2.099  -0.106  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        5.588  -1.157  -0.840  0.00  0.00    +0.005 A 
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 6