REMARK  Name = BDB064295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182  -1.471   0.579  0.00  0.00    +0.191 C 
ATOM      2  N   LIG    1       -0.130  -2.838   0.626  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        1.185  -3.219   0.584  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        1.691  -4.324   0.651  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.890  -1.914   0.445  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        3.221  -1.838   0.317  0.00  0.00    +0.041 C 
ATOM      7  N   LIG    1        0.976  -0.887   0.457  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        4.014  -0.609   0.158  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        3.690   0.581   0.829  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        4.511   1.709   0.650  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        5.646   1.676  -0.162  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1        6.357   2.863  -0.242  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        5.769   3.773   0.499  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        5.972   0.472  -0.816  0.00  0.00    +0.029 A 
ATOM     15  S   LIG    1        4.353   3.287   1.328  0.00  0.00    -0.075 S 
ATOM     16  C   LIG    1        5.159  -0.656  -0.645  0.00  0.00    +0.010 A 
ENDBRANCH   6   8
BRANCH   2  17
ATOM     17  C   LIG    1       -1.228  -3.732   0.818  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -2.308  -3.891  -0.225  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -1.361  -5.019   0.043  0.00  0.00    +0.025 C 
ENDBRANCH   2  17
BRANCH   1  20
ATOM     20  N   LIG    1       -1.375  -0.808   0.654  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -2.184  -1.368   0.401  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.512   0.577   0.189  0.00  0.00    +0.099 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.598   0.581  -1.352  0.00  0.00    +0.181 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.864  -0.184  -3.191  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.761  -0.148  -1.773  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  26
ATOM     26  C   LIG    1       -2.761   1.172   0.874  0.00  0.00    +0.027 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.100   2.628   0.500  0.00  0.00    -0.015 C 
ATOM     28  C   LIG    1       -4.370   3.067   1.236  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -1.960   3.595   0.819  0.00  0.00    +0.007 C 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8