HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Alphitolic acid SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 6.474 5.489 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 7.765 6.228 0.000 0.00 0.00 C+0 HETATM 3 H UNK 0 7.763 5.306 0.000 0.00 0.00 H+0 HETATM 4 C UNK 0 9.163 5.421 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 10.554 6.239 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 10.566 7.788 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 11.920 8.543 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 13.208 7.799 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 14.496 8.543 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 14.496 10.030 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 13.208 10.774 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 11.920 10.030 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 15.826 10.825 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 17.174 10.061 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 17.174 8.512 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 15.826 7.747 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 18.308 11.103 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 17.669 12.505 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 16.139 12.333 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 16.464 13.197 0.000 0.00 0.00 H+0 HETATM 21 C UNK 0 15.137 13.433 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 15.588 14.851 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 13.684 13.115 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 18.468 9.327 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 19.751 10.081 0.000 0.00 0.00 O+0 HETATM 26 H UNK 0 20.553 9.626 0.000 0.00 0.00 H+0 HETATM 27 O UNK 0 18.480 7.839 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 15.005 7.145 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 13.232 6.249 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 11.896 5.464 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 14.164 6.659 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 9.188 8.628 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 7.777 7.842 0.000 0.00 0.00 C+0 HETATM 34 H UNK 0 6.974 7.389 0.000 0.00 0.00 H+0 HETATM 35 O UNK 0 6.498 8.601 0.000 0.00 0.00 O+0 HETATM 36 H UNK 0 6.509 9.523 0.000 0.00 0.00 H+0 HETATM 37 C UNK 0 10.578 9.276 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 8.424 4.130 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 9.912 4.136 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 5.677 5.954 0.000 0.00 0.00 H+0 CONECT 1 2 40 CONECT 2 1 3 4 33 CONECT 3 2 CONECT 4 2 5 38 39 CONECT 5 4 6 30 CONECT 6 5 7 32 37 CONECT 7 6 8 12 CONECT 8 7 9 29 31 CONECT 9 8 10 16 28 CONECT 10 9 11 13 CONECT 11 10 12 CONECT 12 11 7 CONECT 13 10 14 19 CONECT 14 13 15 17 24 CONECT 15 14 16 CONECT 16 15 9 CONECT 17 14 18 CONECT 18 17 19 CONECT 19 18 20 13 21 CONECT 20 19 CONECT 21 19 22 23 CONECT 22 21 CONECT 23 21 CONECT 24 14 25 27 CONECT 25 24 26 CONECT 26 25 CONECT 27 24 CONECT 28 9 CONECT 29 8 30 CONECT 30 29 5 CONECT 31 8 CONECT 32 6 33 CONECT 33 32 34 2 35 CONECT 34 33 CONECT 35 33 36 CONECT 36 35 CONECT 37 6 CONECT 38 4 CONECT 39 4 CONECT 40 1 MASTER 0 0 0 0 0 0 0 0 40 0 88 0 END