REMARK  Name = BDB064035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374  -0.774   0.025  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.449  -2.015   0.556  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.256  -2.601   0.651  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.795  -2.419   0.915  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.132  -3.473   1.415  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.630  -1.248   0.539  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.952  -1.224   0.754  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.825  -0.274  -0.010  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.877  -0.122   0.440  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.988   0.066   1.280  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.903   1.091   0.979  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.748   1.918  -0.135  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.730   2.882  -0.303  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.607   2.784   0.669  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.641   1.709  -0.978  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.330   1.556   1.828  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.723   0.691  -0.686  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.456  -0.107  -0.442  0.00  0.00    -0.303 N 
ATOM     19  H   LIG    1       -1.222   0.855  -0.698  0.00  0.00    +0.150 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -5.992   0.897  -1.753  0.00  0.00    +0.132 C 
ATOM     21  N   LIG    1       -4.852   0.191  -1.218  0.00  0.00    -0.303 N 
ATOM     22  C   LIG    1       -3.702   0.816  -0.755  0.00  0.00    +0.239 C 
ATOM     23  O   LIG    1       -3.415   1.998  -0.877  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1       -2.847  -0.236  -0.018  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -2.999  -0.013   1.487  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.486  -1.546  -0.502  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -4.933  -1.176  -0.785  0.00  0.00    +0.110 C 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 3