REMARK  Name = BDB000903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.025   1.091   0.473  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.334   0.281  -0.428  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.058   0.365  -0.536  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        1.784   1.259   0.260  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        1.094   2.063   1.172  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.298   1.978   1.276  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM      7  O   LIG    1       -3.113  -0.238  -1.145  0.00  0.00    -0.252 OA
ATOM      8  C   LIG    1       -3.360   0.381  -0.119  0.00  0.00    +0.308 C 
ATOM      9  N   LIG    1       -4.622   0.506   0.450  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1       -4.639   0.817   1.409  0.00  0.00    +0.156 HD
ATOM     11  N   LIG    1       -2.425   1.061   0.649  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -2.796   1.720   1.315  0.00  0.00    +0.156 HD
BRANCH   9  13
ATOM     13  C   LIG    1       -5.850   0.058  -0.080  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -6.973   0.135   0.755  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -8.243  -0.274   0.307  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1       -8.374  -0.774  -0.994  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -7.263  -0.846  -1.832  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -6.009  -0.428  -1.378  0.00  0.00    +0.023 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -9.434  -0.209   1.230  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -9.566  -1.334   1.984  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -9.362   0.826   2.114  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1      -10.617  -0.054   0.574  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH   9  13
ENDBRANCH   1  11
BRANCH   4  23
ATOM     23  C   LIG    1        3.288   1.328   0.150  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.968   0.224   0.968  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.422   0.345   0.922  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1        5.893   0.174   1.805  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1        6.074  -0.293  -0.135  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1        7.425  -0.665  -0.058  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1        8.025  -1.289  -1.147  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1        9.396  -1.601  -0.903  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        9.808  -1.215   0.351  0.00  0.00    +0.048 A 
ATOM     32  N   LIG    1        7.361  -1.557  -2.296  0.00  0.00    -0.235 NA
ATOM     33  C   LIG    1        6.084  -1.166  -2.284  0.00  0.00    +0.223 A 
ATOM     34  S   LIG    1        8.547  -0.477   1.238  0.00  0.00    -0.092 S 
ATOM     35  N   LIG    1        5.421  -0.566  -1.285  0.00  0.00    -0.220 NA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7