REMARK  Name = BDB064034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.542  -0.535   0.770  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.722  -1.598   1.586  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.552  -1.866   2.078  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.457  -2.257   1.718  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.698  -3.247   2.379  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.368  -1.456   0.858  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.653  -1.789   0.686  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.666  -0.403   0.311  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.643  -1.088  -0.148  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.642   0.308  -0.300  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.641   0.909  -1.087  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.643   0.161  -1.708  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.559   0.890  -2.449  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.252   2.165  -2.388  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.646  -1.236  -1.536  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.878   2.577  -1.454  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.652  -1.843  -0.755  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.545   0.323   0.466  0.00  0.00    -0.305 N 
ATOM     19  H   LIG    1       -1.273   0.957  -0.289  0.00  0.00    +0.149 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -6.007   2.029  -0.321  0.00  0.00    +0.132 C 
ATOM     21  N   LIG    1       -4.906   1.294   0.256  0.00  0.00    -0.303 N 
ATOM     22  C   LIG    1       -3.736   0.991  -0.428  0.00  0.00    +0.236 C 
ATOM     23  O   LIG    1       -3.386   1.431  -1.512  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1       -2.955  -0.027   0.410  0.00  0.00    +0.160 C 
ATOM     25  C   LIG    1       -3.632   0.091   1.776  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1       -5.058   0.485   1.435  0.00  0.00    +0.110 C 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 3