REMARK  Name = BDB015480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.936  -0.107   0.796  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.276  -0.829  -0.111  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.492  -0.126  -0.956  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.616   1.208  -0.963  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.076   1.891  -0.031  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.892   1.262   0.885  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.068   3.369  -0.041  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.172   3.997  -1.227  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.296   5.374  -1.328  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -0.388   5.960  -2.657  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.320   6.209  -0.214  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -0.401   7.434  -0.267  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.245   5.521   1.116  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.325   6.393   2.329  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.129   4.184   1.163  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.755  -0.850   1.674  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.442  -0.339   2.223  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        0.986  -1.997   2.624  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1       -0.389  -1.601   2.839  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        1.871  -2.190   3.755  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.040  -3.483   1.622  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        2.466  -5.153   0.399  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        2.449  -3.842   1.167  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       -1.258  -0.784  -1.912  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.219  -2.158  -1.873  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -0.273  -2.854  -2.639  0.00  0.00    +0.085 A 
ATOM     27 CL   LIG    1        0.882  -2.024  -3.617  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -0.246  -4.248  -2.620  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1       -1.169  -4.940  -1.839  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1       -1.121  -6.659  -1.791  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -2.128  -4.255  -1.091  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -2.177  -2.853  -1.113  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -3.202  -2.128  -0.289  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7