@MOLECULE 71587975 46 49 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.9419 5.0750 -3.7133 Cl 1 noname 0.0000 2 Cl2 3.1933 2.6108 -2.0636 Cl 1 noname 0.0000 3 N1 -0.1300 2.7209 0.2653 N.2 1 noname 0.0000 4 N2 -0.7726 2.1930 5.3257 N.2 1 noname 0.0000 5 N3 -2.0438 0.5720 4.1920 N.2 1 noname 0.0000 6 C1 0.1882 3.2902 -1.0288 C.3 1 noname 0.0000 7 C2 -0.6056 4.5191 -1.4523 C.2 1 noname 0.0000 8 C3 0.4466 2.2995 -2.1117 C.2 1 noname 0.0000 9 C4 -0.9907 1.7608 0.5725 C.2 1 noname 0.0000 10 C5 0.4891 3.3529 1.2973 C.2 1 noname 0.0000 11 C6 -1.2600 1.4329 1.8365 C.2 1 noname 0.0000 12 C7 -0.7119 2.0854 2.8857 C.2 1 noname 0.0000 13 C8 -0.3796 5.2652 -2.6798 C.2 1 noname 0.0000 14 C9 1.7600 1.8197 -2.4401 C.2 1 noname 0.0000 15 C10 -1.7359 4.9097 -0.6515 C.2 1 noname 0.0000 16 C11 -0.6702 1.8035 -2.8669 C.2 1 noname 0.0000 17 C12 0.2112 3.0732 2.5987 C.2 1 noname 0.0000 18 C13 -1.8713 0.8993 -0.1791 C.3 1 noname 0.0000 19 C14 -1.2921 6.2442 -3.1693 C.2 1 noname 0.0000 20 C15 1.9556 0.7151 -3.3193 C.2 1 noname 0.0000 21 C16 -0.4800 0.7027 -3.7427 C.2 1 noname 0.0000 22 C17 -2.6388 5.8981 -1.1237 C.2 1 noname 0.0000 23 C18 -1.1679 1.6420 4.1268 C.2 1 noname 0.0000 24 C19 -2.4315 6.5404 -2.3753 C.2 1 noname 0.0000 25 C20 0.8064 0.1365 -3.9251 C.2 1 noname 0.0000 26 C21 -1.2085 1.6948 6.5252 C.2 1 noname 0.0000 27 C22 -2.5111 0.0302 5.3497 C.2 1 noname 0.0000 28 C23 -2.0964 0.5862 6.5795 C.2 1 noname 0.0000 29 H1 1.1806 3.7065 -0.8558 H 1 noname 0.0000 30 H2 1.1685 4.0436 1.0936 H 1 noname 0.0000 31 H3 -1.8839 0.6848 2.0130 H 1 noname 0.0000 32 H4 0.6622 3.5684 3.3278 H 1 noname 0.0000 33 H5 -1.5888 2.2371 -2.7749 H 1 noname 0.0000 34 H6 -1.8887 4.4748 0.2584 H 1 noname 0.0000 35 H7 -1.3427 -0.0155 -0.4473 H 1 noname 0.0000 36 H8 -2.7421 0.6512 0.4277 H 1 noname 0.0000 37 H9 -2.1941 1.4114 -1.0856 H 1 noname 0.0000 38 H10 2.8897 0.3514 -3.5079 H 1 noname 0.0000 39 H11 -1.1323 6.7159 -4.0594 H 1 noname 0.0000 40 H12 -1.2778 0.3150 -4.2462 H 1 noname 0.0000 41 H13 -3.4481 6.1513 -0.5568 H 1 noname 0.0000 42 H14 0.9097 -0.6996 -4.5001 H 1 noname 0.0000 43 H15 -3.1115 7.2242 -2.7077 H 1 noname 0.0000 44 H16 -0.8909 2.1264 7.3931 H 1 noname 0.0000 45 H17 -3.1503 -0.7644 5.3293 H 1 noname 0.0000 46 H18 -2.4204 0.2081 7.4697 H 1 noname 0.0000 @BOND 1 1 13 1 2 2 14 1 3 3 6 1 4 3 9 2 5 3 10 1 6 4 23 1 7 4 26 2 8 5 23 2 9 5 27 1 10 6 7 1 11 6 8 1 12 6 29 1 13 7 13 1 14 7 15 2 15 8 14 1 16 8 16 2 17 9 11 1 18 9 18 1 19 10 17 2 20 10 30 1 21 11 12 2 22 11 31 1 23 12 17 1 24 12 23 1 25 13 19 2 26 14 20 2 27 15 22 1 28 15 34 1 29 16 21 1 30 16 33 1 31 17 32 1 32 18 35 1 33 18 36 1 34 18 37 1 35 19 24 1 36 19 39 1 37 20 25 1 38 20 38 1 39 21 25 2 40 21 40 1 41 22 24 2 42 22 41 1 43 24 43 1 44 25 42 1 45 26 28 1 46 26 44 1 47 27 28 2 48 27 45 1 49 28 46 1 @SUBSTRUCTURE 1 noname 1