REMARK  Name = BDB015487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.737  -0.834   0.028  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.229   0.410  -0.044  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.362   1.394  -0.356  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.032   1.143  -0.614  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.357  -0.164  -0.477  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.457  -1.177  -0.181  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.940   2.758  -0.442  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.250   3.819   0.023  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.754   5.111  -0.029  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.936   6.195   0.494  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.012   5.402  -0.550  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.504   6.524  -0.629  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.791   4.235  -1.036  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.273   3.002  -0.973  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.684  -0.611  -0.707  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.645  -1.632  -0.646  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.823  -0.057   0.417  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.792  -0.981   1.529  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.633   1.365   0.613  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.362  -0.286  -0.498  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1        4.576  -1.742  -0.897  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        5.537   0.219   0.335  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1       -2.668  -1.809   0.373  0.00  0.00    -0.422 OA
BRANCH  23  26
ATOM     24  C   LIG    1       -1.788  -2.809   2.903  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -1.781  -3.636   1.649  0.00  0.00    -0.005 A 
ATOM     26  C   LIG    1       -2.197  -3.101   0.417  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -2.191  -3.891  -0.742  0.00  0.00    +0.085 A 
ATOM     28 CL   LIG    1       -2.749  -3.276  -2.256  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -1.728  -5.205  -0.692  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -1.283  -5.727   0.520  0.00  0.00    +0.043 A 
ATOM     31 CL   LIG    1       -0.700  -7.345   0.585  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -1.306  -4.955   1.683  0.00  0.00    +0.027 A 
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6