REMARK  Name = BDB064274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.886  -0.669   0.470  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1       -2.277  -1.570   0.241  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.805   0.352   0.334  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -4.035  -0.028  -0.057  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1       -4.996   0.920  -0.219  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -4.727   2.253   0.020  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1       -5.644   3.221  -0.101  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1       -3.450   2.555   0.416  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -2.479   1.632   0.574  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1       -6.316   0.412  -0.653  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -7.166   1.167  -1.487  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -8.413   0.638  -1.876  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -8.842  -0.624  -1.465  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1      -10.090  -1.009  -1.926  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1      -10.593  -0.054  -2.674  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1       -7.995  -1.384  -0.640  0.00  0.00    +0.029 A 
ATOM     17  S   LIG    1       -9.627   1.345  -2.876  0.00  0.00    -0.075 S 
ATOM     18  C   LIG    1       -6.753  -0.863  -0.250  0.00  0.00    +0.012 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.098  -1.113   1.535  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        1.264  -2.158   1.183  0.00  0.00    +0.126 A 
ATOM     21  N   LIG    1       -0.035  -1.995   0.825  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1       -0.558  -0.746   0.845  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1        0.215   0.348   1.225  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.555   0.165   1.580  0.00  0.00    +0.018 A 
BRANCH  19  31
ATOM     25  C   LIG    1        8.025   1.312  -1.992  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        8.005   1.112  -0.498  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1        6.864   0.549   0.048  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        6.842   0.263   1.486  0.00  0.00    +0.126 C 
ATOM     29  C   LIG    1        5.881  -0.874   1.846  0.00  0.00    +0.127 C 
ATOM     30  N   LIG    1        4.520  -0.643   1.353  0.00  0.00    -0.294 N 
ATOM     31  C   LIG    1        3.493  -1.401   1.910  0.00  0.00    +0.248 C 
ATOM     32  O   LIG    1        3.692  -2.311   2.711  0.00  0.00    -0.270 OA
ATOM     33  C   LIG    1        4.388   0.194   0.152  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1        5.659   0.202  -0.713  0.00  0.00    +0.126 C 
ATOM     35  O   LIG    1        8.970   1.450   0.188  0.00  0.00    -0.276 OA
ENDBRANCH  19  31
ENDBRANCH   1  22
TORSDOF 4