REMARK  Name = BDB033558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693   1.107  -1.902  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.560   0.541  -1.548  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.294   1.621  -1.097  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.614   1.553  -0.652  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.227   0.289  -0.690  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.504  -0.832  -1.143  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.529   2.742  -1.157  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.160  -0.730  -1.540  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1       -0.719   2.420  -1.659  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.751   0.383  -2.436  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.686  -0.632  -2.458  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.324   0.940  -2.496  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -4.155  -0.189  -2.866  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.358   2.151  -3.292  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.575   0.391   0.201  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.707   1.352  -0.812  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -4.151   2.651  -0.525  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -4.467   3.000   0.785  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.338   2.057   1.801  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.893   0.761   1.513  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.194  -1.885   0.812  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -3.111  -0.845  -0.156  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  23
ATOM     23  C   LIG    1        4.660   0.125  -0.236  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.737  -0.610   1.019  0.00  0.00    -0.267 N 
ATOM     25  N   LIG    1        4.810  -1.960   1.011  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        4.884  -2.279   2.306  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        4.857  -1.146   3.140  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        4.763  -0.079   2.279  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
BRANCH   8  29
ATOM     29  O   LIG    1        0.445  -1.821  -1.962  0.00  0.00    -0.433 OA
BRANCH  29  30
ATOM     30  C   LIG    1        0.372  -2.832  -0.959  0.00  0.00    +0.541 C 
ATOM     31  F   LIG    1       -0.150  -2.301   0.175  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -0.519  -3.758  -1.394  0.00  0.00    -0.166 F 
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 8