HEADER PROTEIN 23-NOV-23 NONE TITLE NULL COMPND MOLECULE: CT1000048109 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-NOV-23 0 HETATM 1 C UNK 0 2.338 -1.134 -2.105 0.00 0.00 C+0 HETATM 2 N UNK 0 1.264 -0.387 -1.638 0.00 0.00 N+0 HETATM 3 C UNK 0 2.263 -2.542 -2.188 0.00 0.00 C+0 HETATM 4 C UNK 0 3.546 -0.515 -2.515 0.00 0.00 C+0 HETATM 5 C UNK 0 0.811 0.819 -2.302 0.00 0.00 C+0 HETATM 6 C UNK 0 0.553 -0.751 -0.425 0.00 0.00 C+0 HETATM 7 F UNK 0 1.158 -3.190 -1.927 0.00 0.00 F+0 HETATM 8 C UNK 0 3.374 -3.298 -2.583 0.00 0.00 C+0 HETATM 9 C UNK 0 4.677 -1.249 -2.973 0.00 0.00 C+0 HETATM 10 C UNK 0 0.892 2.005 -1.310 0.00 0.00 C+0 HETATM 11 C UNK 0 0.525 0.437 0.569 0.00 0.00 C+0 HETATM 12 C UNK 0 4.584 -2.673 -2.969 0.00 0.00 C+0 HETATM 13 N UNK 0 5.836 -0.650 -3.433 0.00 0.00 N+0 HETATM 14 N UNK 0 0.114 1.699 -0.088 0.00 0.00 N+0 HETATM 15 C UNK 0 5.699 -3.445 -3.380 0.00 0.00 C+0 HETATM 16 C UNK 0 5.983 0.788 -3.551 0.00 0.00 C+0 HETATM 17 C UNK 0 6.883 -1.413 -3.884 0.00 0.00 C+0 HETATM 18 C UNK 0 6.881 -2.824 -3.847 0.00 0.00 C+0 HETATM 19 O UNK 0 5.626 -4.699 -3.344 0.00 0.00 O+0 HETATM 20 C UNK 0 5.979 1.676 -2.286 0.00 0.00 C+0 HETATM 21 C UNK 0 7.281 1.459 -3.048 0.00 0.00 C+0 HETATM 22 C UNK 0 8.033 -3.555 -4.277 0.00 0.00 C+0 HETATM 23 O UNK 0 8.096 -4.805 -4.247 0.00 0.00 O+0 HETATM 24 O UNK 0 9.151 -2.939 -4.733 0.00 0.00 O+0 HETATM 25 H UNK 0 3.590 0.502 -2.473 0.00 0.00 H+0 HETATM 26 H UNK 0 -0.228 0.687 -2.623 0.00 0.00 H+0 HETATM 27 H UNK 0 1.388 1.061 -3.198 0.00 0.00 H+0 HETATM 28 H UNK 0 -0.472 -1.037 -0.681 0.00 0.00 H+0 HETATM 29 H UNK 0 1.011 -1.598 0.095 0.00 0.00 H+0 HETATM 30 H UNK 0 3.282 -4.318 -2.604 0.00 0.00 H+0 HETATM 31 H UNK 0 0.483 2.906 -1.772 0.00 0.00 H+0 HETATM 32 H UNK 0 1.936 2.199 -1.047 0.00 0.00 H+0 HETATM 33 H UNK 0 1.513 0.569 1.016 0.00 0.00 H+0 HETATM 34 H UNK 0 -0.185 0.219 1.370 0.00 0.00 H+0 HETATM 35 H UNK 0 0.282 2.456 0.578 0.00 0.00 H+0 HETATM 36 H UNK 0 5.544 1.261 -4.433 0.00 0.00 H+0 HETATM 37 H UNK 0 7.710 -0.946 -4.271 0.00 0.00 H+0 HETATM 38 H UNK 0 5.933 1.172 -1.318 0.00 0.00 H+0 HETATM 39 H UNK 0 5.555 2.678 -2.384 0.00 0.00 H+0 HETATM 40 H UNK 0 8.003 0.842 -2.511 0.00 0.00 H+0 HETATM 41 H UNK 0 7.638 2.312 -3.627 0.00 0.00 H+0 HETATM 42 H UNK 0 9.928 -3.473 -5.006 0.00 0.00 H+0 CONECT 1 2 3 4 CONECT 2 1 5 6 CONECT 3 1 7 8 CONECT 4 1 9 25 CONECT 5 2 10 26 27 CONECT 6 2 11 28 29 CONECT 7 3 CONECT 8 3 12 30 CONECT 9 4 12 13 CONECT 10 5 14 31 32 CONECT 11 6 14 33 34 CONECT 12 8 9 15 CONECT 13 9 16 17 CONECT 14 10 11 35 CONECT 15 12 18 19 CONECT 16 13 20 21 36 CONECT 17 13 18 37 CONECT 18 15 17 22 CONECT 19 15 CONECT 20 16 21 38 39 CONECT 21 16 20 40 41 CONECT 22 18 23 24 CONECT 23 22 CONECT 24 22 42 CONECT 25 4 CONECT 26 5 CONECT 27 5 CONECT 28 6 CONECT 29 6 CONECT 30 8 CONECT 31 10 CONECT 32 10 CONECT 33 11 CONECT 34 11 CONECT 35 14 CONECT 36 16 CONECT 37 17 CONECT 38 20 CONECT 39 20 CONECT 40 21 CONECT 41 21 CONECT 42 24 MASTER 0 0 0 0 0 0 0 0 42 0 90 0 END