REMARK  Name = BDB015580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.553   0.571   0.832  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.627  -0.339   1.147  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.644   0.094   1.143  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.016   1.343   0.820  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -0.042   2.198   0.466  0.00  0.00    +0.226 A 
ATOM      6  C   LIG    1        1.290   1.867   0.473  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.723  -0.867   1.501  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.408  -2.123   1.872  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.368  -3.064   2.212  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.923  -4.394   2.598  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.733  -2.784   2.194  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.609  -3.595   2.483  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.106  -1.391   1.790  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.564  -1.060   1.771  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.138  -0.516   1.472  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.870   0.061   0.793  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.615   0.716   1.030  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.272  -0.761  -0.620  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.457  -0.264  -1.708  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.717  -0.694  -0.687  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.806  -2.445  -0.218  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        2.788  -4.830  -1.010  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        3.194  -3.403  -1.338  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  O   LIG    1       -0.498   3.458   0.134  0.00  0.00    -0.436 OA
BRANCH  24  25
ATOM     25  C   LIG    1        0.111   4.084  -0.934  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1        0.883   5.230  -0.684  0.00  0.00    +0.094 A 
ATOM     27  C   LIG    1        1.498   5.898  -1.749  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        1.334   5.433  -3.053  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        0.542   4.312  -3.301  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -0.101   3.637  -2.252  0.00  0.00    -0.007 A 
ATOM     31  C   LIG    1       -0.966   2.448  -2.570  0.00  0.00    +0.047 C 
BRANCH  26  32
ATOM     32  C   LIG    1        1.080   5.713   0.651  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1        1.274   6.090   1.731  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 8