REMARK  Name = BDB060498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.351   1.805  -1.073  0.00  0.00    +0.209 A 
ATOM      2  N   LIG    1        0.828   1.155  -1.137  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1        0.715  -0.074  -0.608  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.422  -0.656  -0.074  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.165  -1.950   0.336  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1        1.113  -2.136   0.078  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -1.598   0.121  -0.063  0.00  0.00    +0.151 A 
ATOM      8  N   LIG    1        1.688  -1.026  -0.482  0.00  0.00    -0.314 N 
ATOM      9  N   LIG    1       -1.535   1.371  -0.589  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -0.371   5.598  -2.608  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -0.360   4.242  -2.064  0.00  0.00    -0.097 C 
ATOM     12  C   LIG    1       -0.355   3.128  -1.612  0.00  0.00    -0.027 C 
ENDBRANCH   1  12
BRANCH   7  13
ATOM     13  N   LIG    1       -2.792  -0.372   0.471  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -2.743  -1.385   0.566  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.997   0.137  -0.150  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.192  -0.582   0.432  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1       -5.619  -0.297   1.738  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -6.714  -0.970   2.280  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1       -7.281  -0.575   4.040  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1       -7.393  -1.932   1.535  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -6.971  -2.227   0.239  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.874  -1.559  -0.309  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   8  23
ATOM     23  C   LIG    1        3.064  -0.905  -0.917  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.090  -0.954   0.216  0.00  0.00    +0.097 C 
ATOM     25  C   LIG    1        5.527  -0.842  -0.310  0.00  0.00    +0.158 C 
ATOM     26  C   LIG    1        6.396  -0.561   0.927  0.00  0.00    +0.154 C 
ATOM     27  C   LIG    1        5.764   0.652   1.605  0.00  0.00    +0.103 C 
ATOM     28  S   LIG    1        3.962   0.446   1.394  0.00  0.00    -0.150 S 
BRANCH  25  29
ATOM     29  O   LIG    1        5.947  -2.030  -0.975  0.00  0.00    -0.388 OA
ATOM     30  H   LIG    1        5.665  -1.985  -1.904  0.00  0.00    +0.210 HD
ENDBRANCH  25  29
BRANCH  26  31
ATOM     31  O   LIG    1        6.394  -1.685   1.817  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1        7.007  -1.490   2.546  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 8