REMARK  Name = BDB034829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.371  -0.036   0.184  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        2.885  -0.472  -1.059  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.496  -0.610  -1.222  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.597  -0.329  -0.191  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.740  -0.512  -0.504  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1       -0.844  -0.920  -1.740  0.00  0.00    +0.165 A 
ATOM      7  C   LIG    1        1.103   0.104   1.050  0.00  0.00    +0.029 A 
ATOM      8  S   LIG    1        0.608  -1.120  -2.608  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        2.485   0.246   1.226  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.348  -1.493   2.384  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        5.667  -0.496   1.336  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        4.796   0.111   0.392  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.618   0.948  -0.331  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.421   1.896  -1.445  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.889   0.840   0.140  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        6.924  -0.060   1.187  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.962  -1.225  -2.458  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -1.825  -1.583  -3.393  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -3.256  -1.199  -2.036  0.00  0.00    +0.222 C 
ATOM     20  O   LIG    1       -4.112  -1.625  -2.818  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.640  -0.637  -0.671  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1       -3.557   0.894  -0.674  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -3.956   1.457   0.683  0.00  0.00    +0.117 C 
ATOM     24  N   LIG    1       -5.339   1.018   1.028  0.00  0.00    -0.269 N 
ATOM     25  C   LIG    1       -5.461  -0.469   1.064  0.00  0.00    +0.117 C 
ATOM     26  C   LIG    1       -5.068  -1.056  -0.285  0.00  0.00    +0.032 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -6.157   1.800   1.753  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1       -6.853   2.473   2.388  0.00  0.00    -0.174 NA
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  17
TORSDOF 4