REMARK  Name = BDB036573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.266  -0.049  -0.082  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        2.140  -0.121  -1.497  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1        0.979   0.325  -2.153  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.068   0.852  -1.374  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.087   0.910  -0.003  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -1.031   1.447   0.552  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -1.943   1.749  -0.444  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -1.363   1.396  -1.593  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.217   0.479   0.684  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        3.473  -0.526   0.497  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        4.091  -0.857  -0.240  0.00  0.00    +0.154 HD
BRANCH  10  16
ATOM     12  C   LIG    1        5.290  -1.059   3.462  0.00  0.00    +0.038 A 
ATOM     13  N   LIG    1        4.109  -0.518   3.884  0.00  0.00    -0.280 N 
ATOM     14  H   LIG    1        3.818  -0.312   4.833  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        3.259  -0.236   2.888  0.00  0.00    -0.158 NA
ATOM     16  C   LIG    1        3.900  -0.603   1.777  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        5.180  -1.128   2.091  0.00  0.00    +0.068 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.321  -0.288   4.673  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        6.378  -1.448   4.396  0.00  0.00    +0.051 C 
ENDBRANCH  12  19
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  O   LIG    1        3.236  -0.657  -2.140  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1        3.191  -0.732  -3.560  0.00  0.00    +0.277 C 
ENDBRANCH   2  20
BRANCH   8  22
ATOM     22  N   LIG    1       -1.957   1.519  -2.840  0.00  0.00    -0.196 N 
ATOM     23  H   LIG    1       -1.488   1.182  -3.673  0.00  0.00    +0.175 HD
BRANCH  22  24
ATOM     24  S   LIG    1       -3.432   2.237  -3.128  0.00  0.00    +0.074 S 
ATOM     25  O   LIG    1       -3.662   2.082  -4.551  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1       -3.472   3.546  -2.517  0.00  0.00    -0.150 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -4.586   1.171  -2.304  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -4.957  -0.029  -2.908  0.00  0.00    +0.071 A 
ATOM     29  C   LIG    1       -5.880  -0.847  -2.264  0.00  0.00    +0.167 A 
ATOM     30  F   LIG    1       -6.220  -2.005  -2.852  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -6.449  -0.490  -1.035  0.00  0.00    +0.155 A 
ATOM     32  C   LIG    1       -6.080   0.725  -0.451  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1       -5.154   1.560  -1.087  0.00  0.00    +0.032 A 
BRANCH  31  34
ATOM     34  O   LIG    1       -7.339  -1.388  -0.510  0.00  0.00    -0.492 OA
ATOM     35  C   LIG    1       -7.924  -1.065   0.744  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 8