@MOLECULE 86278203 63 67 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.9144 -3.0445 -2.0044 Cl 1 noname -0.1160 2 Cl2 2.0455 -1.1607 0.5932 Cl 1 noname -0.1209 3 O1 4.0146 -6.2267 -0.4383 O.3 1 noname -0.3613 4 O2 2.7146 -7.4292 -2.4687 O.3 1 noname -0.3722 5 O3 2.8311 -6.5001 2.1307 O.2 1 noname -0.2767 6 O4 0.8467 -8.7068 0.1743 O.3 1 noname -0.2023 7 O5 3.9049 2.0679 -5.5593 O.2 1 noname -0.3034 8 O6 -0.4457 -10.3523 -0.6591 O.2 1 noname -0.2548 9 C1 2.1914 -4.5978 -0.2429 C.3 1 noname 0.0111 10 C2 2.2190 -4.3839 -1.8044 C.3 1 noname -0.0254 11 C3 2.0822 -2.8970 -2.2126 C.3 1 noname -0.0156 12 C4 2.5427 -6.1533 -0.2363 C.3 1 noname 0.1602 13 C5 3.3962 -2.0905 -1.7670 C.3 1 noname 0.0766 14 C6 1.3314 -5.4688 -2.3932 C.3 1 noname -0.0196 15 C7 3.1761 -3.6019 0.4663 C.3 1 noname -0.0260 16 C8 1.8368 -6.6834 -1.5862 C.3 1 noname 0.0947 17 C9 3.3138 -2.1503 -0.1540 C.3 1 noname 0.0549 18 C10 3.5452 -0.6565 -2.5944 C.3 1 noname 0.0281 19 C11 1.5838 -2.6233 -3.6526 C.3 1 noname -0.0446 20 C12 0.8204 -4.2965 0.4705 C.3 1 noname -0.0560 21 C13 1.1931 -1.1356 -3.6285 C.3 1 noname -0.0303 22 C14 2.4211 -0.3756 -3.5878 C.2 1 noname -0.0285 23 C15 2.2750 -6.8873 1.0782 C.2 1 noname 0.1769 24 C16 3.6929 0.5463 -1.6092 C.3 1 noname -0.0505 25 C17 4.7994 -0.4846 -3.4096 C.2 1 noname -0.0386 26 C18 4.6082 -7.4586 -0.9069 C.3 1 noname 0.0716 27 C19 3.6755 -8.2955 -1.8097 C.3 1 noname 0.0707 28 C20 2.5473 0.4888 -4.6316 C.2 1 noname 0.0218 29 C21 1.3929 -8.0602 1.2956 C.3 1 noname 0.1180 30 C22 4.8996 0.2968 -4.5058 C.2 1 noname 0.0167 31 C23 3.7896 1.0068 -4.9137 C.2 1 noname 0.0642 32 C24 0.0403 -9.7770 0.3386 C.2 1 noname 0.1405 33 C25 -0.2642 -10.2623 1.6815 C.3 1 noname 0.0220 34 H1 3.1412 -4.7156 -2.2789 H 1 noname 0.0314 35 H2 1.2291 -2.5755 -1.6059 H 1 noname 0.0325 36 H3 0.2918 -5.2678 -2.1345 H 1 noname 0.0297 37 H4 1.4207 -5.5817 -3.4737 H 1 noname 0.0297 38 H5 2.9152 -3.5228 1.5217 H 1 noname 0.0289 39 H6 4.1623 -4.0517 0.3511 H 1 noname 0.0289 40 H7 0.8684 -7.1793 -1.4532 H 1 noname 0.0638 41 H8 4.2344 -1.7487 0.2768 H 1 noname 0.0490 42 H9 0.6991 -3.2280 -3.8520 H 1 noname 0.0273 43 H10 2.3847 -2.8454 -4.3579 H 1 noname 0.0273 44 H11 0.9202 -4.4779 1.5406 H 1 noname 0.0237 45 H12 0.0475 -4.9475 0.0620 H 1 noname 0.0237 46 H13 0.5447 -3.2554 0.3026 H 1 noname 0.0237 47 H14 0.6077 -0.9282 -2.7327 H 1 noname 0.0313 48 H15 0.6350 -0.8394 -4.5167 H 1 noname 0.0313 49 H16 3.7887 1.4716 -2.1773 H 1 noname 0.0243 50 H17 2.8122 0.6021 -0.9694 H 1 noname 0.0243 51 H18 4.5810 0.4045 -0.9933 H 1 noname 0.0243 52 H19 5.6427 -0.9260 -3.1751 H 1 noname 0.0587 53 H20 4.9217 -8.0588 -0.0528 H 1 noname 0.0591 54 H21 5.4998 -7.1756 -1.4665 H 1 noname 0.0591 55 H22 3.1461 -9.0303 -1.2032 H 1 noname 0.0590 56 H23 4.2830 -8.8314 -2.5390 H 1 noname 0.0590 57 H24 1.8100 0.7012 -5.2781 H 1 noname 0.0663 58 H25 0.5929 -7.7904 1.9850 H 1 noname 0.0657 59 H26 1.9399 -8.7850 1.8986 H 1 noname 0.0657 60 H27 5.7554 0.3362 -5.0105 H 1 noname 0.0660 61 H28 -1.3403 -10.2162 1.8491 H 1 noname 0.0336 62 H29 0.0751 -11.2934 1.7808 H 1 noname 0.0336 63 H30 0.2451 -9.6397 2.4170 H 1 noname 0.0336 @BOND 1 13 1 1 2 17 2 1 3 3 12 1 4 3 26 1 5 4 16 1 6 4 27 1 7 5 23 2 8 6 29 1 9 6 32 1 10 7 31 2 11 8 32 2 12 9 10 1 13 9 12 1 14 9 15 1 15 9 20 1 16 10 11 1 17 10 14 1 18 10 34 1 19 11 13 1 20 11 19 1 21 11 35 1 22 12 16 1 23 12 23 1 24 13 17 1 25 13 18 1 26 14 16 1 27 14 36 1 28 14 37 1 29 15 17 1 30 15 38 1 31 15 39 1 32 16 40 1 33 17 41 1 34 18 22 1 35 18 24 1 36 18 25 1 37 19 21 1 38 19 42 1 39 19 43 1 40 20 44 1 41 20 45 1 42 20 46 1 43 21 22 1 44 21 47 1 45 21 48 1 46 22 28 2 47 23 29 1 48 24 49 1 49 24 50 1 50 24 51 1 51 25 30 2 52 25 52 1 53 26 27 1 54 26 53 1 55 26 54 1 56 27 55 1 57 27 56 1 58 28 31 1 59 28 57 1 60 29 58 1 61 29 59 1 62 30 31 1 63 30 60 1 64 32 33 1 65 33 61 1 66 33 62 1 67 33 63 1 @SUBSTRUCTURE 1 noname 1