HEADER
HETATM    1 C2   RES A 444       4.239  -1.433  -0.456
HETATM    2 C3   RES A 444       5.593  -1.138   0.175
HETATM    3 C4   RES A 444       6.008   0.296  -0.130
HETATM    4 C5   RES A 444       4.910   1.287   0.288
HETATM    5 C6   RES A 444       5.218   2.725  -0.142
HETATM    6 O8   RES A 444       6.609  -1.988  -0.337
HETATM    7 O9   RES A 444       7.189   0.651   0.574
HETATM    8 O11  RES A 444       6.245   3.298   0.634
HETATM    9 H24  RES A 444       4.323  -1.337  -1.549
HETATM   10 H25  RES A 444       5.513  -1.265   1.267
HETATM   11 H26  RES A 444       6.176   0.380  -1.215
HETATM   12 H27  RES A 444       4.811   1.268   1.384
HETATM   13 H28  RES A 444       5.451   2.736  -1.221
HETATM   14 H29  RES A 444       4.324   3.341  -0.003
HETATM   15 H77  RES A 444       6.311  -2.903  -0.190
HETATM   16 H82  RES A 444       6.981   2.658   0.642
HETATM   17 C1   RES A 444       3.220  -0.403   0.038
HETATM   18 O7   RES A 444       3.880  -2.759  -0.098
HETATM   19 O9   RES A 444      -3.239   0.622   0.534
HETATM   20 O10  RES A 444       3.663   0.910  -0.327
HETATM   21 H23  RES A 444       3.122  -0.449   1.135
HETATM   22 C37  RES A 444      -2.010   0.371  -0.066
HETATM   23 C38  RES A 444      -1.014   1.506   0.164
HETATM   24 C39  RES A 444       0.326   1.145  -0.462
HETATM   25 C40  RES A 444       0.814  -0.190   0.120
HETATM   26 C41  RES A 444      -0.278  -1.266  -0.030
HETATM   27 C42  RES A 444       0.027  -2.577   0.686
HETATM   28 O43  RES A 444      -1.566   2.689  -0.395
HETATM   29 O44  RES A 444       1.205   2.235  -0.230
HETATM   30 O45  RES A 444       1.992  -0.640  -0.577
HETATM   31 O46  RES A 444      -1.507  -0.810   0.539
HETATM   32 O47  RES A 444      -1.001  -3.522   0.503
HETATM   33 H59  RES A 444      -2.133   0.198  -1.151
HETATM   34 H60  RES A 444      -0.888   1.635   1.249
HETATM   35 H61  RES A 444       0.180   1.022  -1.548
HETATM   36 H62  RES A 444       1.051  -0.053   1.184
HETATM   37 H63  RES A 444      -0.426  -1.476  -1.102
HETATM   38 H64  RES A 444       0.951  -3.005   0.285
HETATM   39 H65  RES A 444       0.196  -2.376   1.757
HETATM   40 H73  RES A 444      -0.820   3.273  -0.620
HETATM   41 H74  RES A 444       2.116   1.954  -0.457
HETATM   42 H76  RES A 444      -1.835  -3.018   0.497
HETATM   43 H83  RES A 444       2.983  -2.912  -0.439
HETATM   44 H84  RES A 444       7.850  -0.042   0.414
HETATM   45 H85  RES A 444      -3.372   1.583   0.540
CONECT    1   17    2   18    9
CONECT    2    1    3    6   10
CONECT    3    2    4    7   11
CONECT    4    3    5   20   12
CONECT    5    4    8   13   14
CONECT    6    2   15
CONECT    7    3   44
CONECT    8    5   16
CONECT    9    1
CONECT   10    2
CONECT   11    3
CONECT   12    4
CONECT   13    5
CONECT   14    5
CONECT   15    6
CONECT   16    8
CONECT   17    1   20   21   30
CONECT   18    1   43
CONECT   19   22   45
CONECT   20   17    4
CONECT   21   17
CONECT   22   19   23   31   33
CONECT   23   22   24   28   34
CONECT   24   23   25   29   35
CONECT   25   24   26   30   36
CONECT   26   25   27   31   37
CONECT   27   26   32   38   39
CONECT   28   23   40
CONECT   29   24   41
CONECT   30   17   25
CONECT   31   22   26
CONECT   32   27   42
CONECT   33   22
CONECT   34   23
CONECT   35   24
CONECT   36   25
CONECT   37   26
CONECT   38   27
CONECT   39   27
CONECT   40   28
CONECT   41   29
CONECT   42   32
CONECT   43   18
CONECT   44    7
CONECT   45   19
END  
