REMARK  Name = BDB015474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.910  -0.004   0.814  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.744   1.261   1.205  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.526   1.768   0.983  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.479   1.132   0.360  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.255  -0.138  -0.029  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.966  -0.750   0.154  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.391  -0.810  -0.710  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.623  -2.122  -0.512  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.677  -2.787  -1.119  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.843  -4.207  -0.848  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.581  -2.147  -1.966  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.517  -2.710  -2.530  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.360  -0.680  -2.167  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.338   0.038  -3.040  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.323  -0.083  -1.559  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.240  -0.443   1.042  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.716   0.338   1.502  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.405  -1.816   2.012  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.490  -1.349   3.377  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.442  -2.822   1.618  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.030  -2.383   1.524  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.493  -3.276  -0.312  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.105  -2.776   0.055  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.368   3.096   1.360  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.930   3.538   1.474  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -1.756   3.053   2.491  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -1.298   2.136   3.356  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -3.059   3.516   2.629  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.539   4.485   1.750  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -2.711   4.992   0.743  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -1.393   4.533   0.600  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -0.513   5.078  -0.486  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7