@MOLECULE 71587974 43 46 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.7886 6.4962 -0.2728 Cl 1 noname 0.0000 2 Cl2 1.1027 5.1324 -3.3709 Cl 1 noname 0.0000 3 N1 -0.0949 2.2316 -0.8302 N.2 1 noname 0.0000 4 N2 -0.6485 -2.6194 -0.8762 N.2 1 noname 0.0000 5 N3 -2.8197 -1.7536 -0.4413 N.2 1 noname 0.0000 6 C1 0.3932 3.5791 -0.7107 C.3 1 noname 0.0000 7 C2 0.9159 3.9631 0.6461 C.2 1 noname 0.0000 8 C3 -0.5588 4.6203 -1.2038 C.2 1 noname 0.0000 9 C4 -1.3590 1.9257 -0.6550 C.2 1 noname 0.0000 10 C5 0.8195 1.2368 -0.9845 C.2 1 noname 0.0000 11 C6 1.5003 5.2701 0.8747 C.2 1 noname 0.0000 12 C7 -0.3232 5.2927 -2.4431 C.2 1 noname 0.0000 13 C8 0.7663 3.0557 1.7570 C.2 1 noname 0.0000 14 C9 -1.7323 4.9194 -0.4334 C.2 1 noname 0.0000 15 C10 -0.8884 -0.3251 -0.7036 C.2 1 noname 0.0000 16 C11 -1.7662 0.6697 -0.5547 C.2 1 noname 0.0000 17 C12 0.4450 -0.0595 -0.9245 C.2 1 noname 0.0000 18 C13 1.8733 5.6804 2.1801 C.2 1 noname 0.0000 19 C14 -1.3406 6.1389 -2.9551 C.2 1 noname 0.0000 20 C15 1.1603 3.4684 3.0549 C.2 1 noname 0.0000 21 C16 -2.7509 5.7325 -0.9821 C.2 1 noname 0.0000 22 C17 -2.5610 6.3325 -2.2509 C.2 1 noname 0.0000 23 C18 1.6979 4.7699 3.2568 C.2 1 noname 0.0000 24 C19 -1.4654 -1.5523 -0.6637 C.2 1 noname 0.0000 25 C20 -1.1388 -3.8893 -0.8578 C.2 1 noname 0.0000 26 C21 -3.3539 -3.0082 -0.4142 C.2 1 noname 0.0000 27 C22 -2.5155 -4.1285 -0.6214 C.2 1 noname 0.0000 28 H1 1.2507 3.6323 -1.3816 H 1 noname 0.0000 29 H2 -2.1073 2.5485 -0.5378 H 1 noname 0.0000 30 H3 1.7956 1.4093 -1.0971 H 1 noname 0.0000 31 H4 -1.8642 4.5093 0.5065 H 1 noname 0.0000 32 H5 0.3796 2.1233 1.6100 H 1 noname 0.0000 33 H6 -2.7179 0.4692 -0.3700 H 1 noname 0.0000 34 H7 1.1035 -0.7904 -1.0351 H 1 noname 0.0000 35 H8 -1.1941 6.6170 -3.8441 H 1 noname 0.0000 36 H9 2.2596 6.6103 2.3427 H 1 noname 0.0000 37 H10 1.0582 2.8313 3.8449 H 1 noname 0.0000 38 H11 -3.6177 5.8860 -0.4669 H 1 noname 0.0000 39 H12 -3.3002 6.9039 -2.6600 H 1 noname 0.0000 40 H13 1.9644 5.0568 4.1986 H 1 noname 0.0000 41 H14 -0.5093 -4.6762 -1.0157 H 1 noname 0.0000 42 H15 -4.3515 -3.1378 -0.2458 H 1 noname 0.0000 43 H16 -2.8894 -5.0773 -0.6013 H 1 noname 0.0000 @BOND 1 1 11 1 2 2 12 1 3 3 6 1 4 3 9 2 5 3 10 1 6 4 24 1 7 4 25 2 8 5 24 2 9 5 26 1 10 6 7 1 11 6 8 1 12 6 28 1 13 7 11 1 14 7 13 2 15 8 12 1 16 8 14 2 17 9 16 1 18 9 29 1 19 10 17 2 20 10 30 1 21 11 18 2 22 12 19 2 23 13 20 1 24 13 32 1 25 14 21 1 26 14 31 1 27 15 16 2 28 15 17 1 29 15 24 1 30 16 33 1 31 17 34 1 32 18 23 1 33 18 36 1 34 19 22 1 35 19 35 1 36 20 23 2 37 20 37 1 38 21 22 2 39 21 38 1 40 22 39 1 41 23 40 1 42 25 27 1 43 25 41 1 44 26 27 2 45 26 42 1 46 27 43 1 @SUBSTRUCTURE 1 noname 1