REMARK  Name = BDB026371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.605   1.129   1.109  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.347   1.380   1.786  0.00  0.00    +0.116 C 
ATOM      3  C   LIG    1       -0.197   0.213   1.034  0.00  0.00    +0.033 C 
ATOM      4  C   LIG    1       -1.110  -0.764   1.703  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1       -1.898  -0.689   0.480  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1       -2.984  -1.425   0.099  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -3.371  -2.375   0.783  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.174   0.440  -0.084  0.00  0.00    +0.119 C 
ATOM      9  C   LIG    1        1.202  -0.198   0.700  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.121   2.782   2.181  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        2.910   1.588   1.445  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        4.103   0.906   1.027  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.331   1.437   1.418  0.00  0.00    +0.110 A 
ATOM     14  S   LIG    1        6.672   0.537   0.876  0.00  0.00    -0.073 S 
ATOM     15  C   LIG    1        5.678  -0.591   0.073  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        5.541   2.546   2.149  0.00  0.00    -0.246 NA
ATOM     17  C   LIG    1        4.341  -0.279   0.235  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        4.414   3.187   2.494  0.00  0.00    +0.132 A 
BRANCH  10  20
ATOM     19  N   LIG    1        1.242   4.358   3.018  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1        2.069   3.642   2.629  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
BRANCH  15  21
ATOM     21  C   LIG    1        6.285  -1.743  -0.678  0.00  0.00    +0.155 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.283  -1.539  -2.183  0.00  0.00    +0.394 C 
ATOM     23  F   LIG    1        5.027  -1.407  -2.665  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1        6.992  -0.452  -2.552  0.00  0.00    -0.170 F 
ATOM     25  F   LIG    1        6.836  -2.611  -2.799  0.00  0.00    -0.170 F 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  11
BRANCH   6  26
ATOM     26  C   LIG    1       -3.602  -1.102  -1.270  0.00  0.00    +0.144 C 
ATOM     27  C   LIG    1       -4.982  -1.730  -1.532  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -5.426  -0.892  -2.728  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -5.266   0.417  -1.966  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.171   0.206  -0.746  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -6.011  -1.294  -0.468  0.00  0.00    +0.007 C 
ATOM     32  N   LIG    1       -3.862   0.358  -1.495  0.00  0.00    -0.303 NA
ATOM     33  H   LIG    1       -3.255   0.668  -2.255  0.00  0.00    +0.123 HD
ENDBRANCH   6  26
TORSDOF 5