@MOLECULE 76960496 41 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.5418 2.1477 3.4498 Cl 1 noname -0.0839 2 N1 -2.5871 1.3707 -2.2944 N.3 1 noname -0.3160 3 N2 -3.1231 -2.6435 0.6269 N.2 1 noname -0.2477 4 C1 -2.9152 0.2276 0.1569 C.2 1 noname -0.0322 5 C2 -1.9125 -0.6065 0.6022 C.2 1 noname -0.0098 6 C3 -2.9152 1.6978 0.2322 C.3 1 noname -0.0184 7 C4 -3.9970 -0.1711 -0.7322 C.3 1 noname -0.0184 8 C5 -3.3943 0.1002 -2.1620 C.3 1 noname -0.0010 9 C6 -2.1358 2.1150 -1.0634 C.3 1 noname -0.0010 10 C7 -0.7792 -0.1171 1.3253 C.2 1 noname -0.0390 11 C8 -1.9613 -1.9823 0.2853 C.2 1 noname 0.0098 12 C9 0.6249 -0.4170 1.0350 C.2 1 noname -0.0288 13 C10 1.1821 -1.4354 0.1198 C.3 1 noname 0.0149 14 C11 0.2937 -2.1486 -0.9179 C.3 1 noname 0.0189 15 C12 -0.9437 -2.7422 -0.3982 C.2 1 noname -0.0138 16 C13 -1.0642 0.7779 2.4170 C.2 1 noname -0.0344 17 C14 1.6717 0.2861 1.7139 C.2 1 noname -0.0258 18 C15 -1.1811 -4.1240 -0.6543 C.2 1 noname -0.0438 19 C16 -0.0265 1.4743 3.0702 C.2 1 noname -0.0302 20 C17 1.3230 1.2519 2.7027 C.2 1 noname -0.0096 21 C18 -2.3962 -4.7438 -0.2689 C.2 1 noname -0.0326 22 C19 -3.3793 -3.9641 0.3770 C.2 1 noname -0.0109 23 H1 -4.8576 0.4783 -0.5715 H 1 noname 0.0326 24 H2 -4.2403 -1.2323 -0.6776 H 1 noname 0.0326 25 H3 -3.9400 2.0647 0.1737 H 1 noname 0.0326 26 H4 -2.3632 2.0924 1.0852 H 1 noname 0.0326 27 H5 -2.2480 3.1871 -1.2255 H 1 noname 0.0431 28 H6 -1.0942 1.8388 -0.8998 H 1 noname 0.0431 29 H7 -4.1963 0.1006 -2.9002 H 1 noname 0.0431 30 H8 -2.6937 -0.7144 -2.3456 H 1 noname 0.0431 31 H9 1.7356 -2.1773 0.6954 H 1 noname 0.0319 32 H10 2.0090 -0.9632 -0.4106 H 1 noname 0.0319 33 H11 0.0537 -1.4582 -1.7266 H 1 noname 0.0320 34 H12 0.8836 -2.9281 -1.4002 H 1 noname 0.0320 35 H13 -1.7843 1.2023 -2.9041 H 1 noname 0.1222 36 H14 -2.0287 0.9098 2.7215 H 1 noname 0.0629 37 H15 2.6500 0.0990 1.4938 H 1 noname 0.0641 38 H16 -0.4637 -4.6769 -1.1235 H 1 noname 0.0626 39 H17 -0.2487 2.1405 3.8099 H 1 noname 0.0638 40 H18 -2.5568 -5.7338 -0.4548 H 1 noname 0.0638 41 H19 -4.2688 -4.3795 0.6539 H 1 noname 0.0839 @BOND 1 1 20 1 2 2 8 1 3 2 9 1 4 2 35 1 5 3 11 1 6 3 22 2 7 4 5 2 8 4 6 1 9 4 7 1 10 5 10 1 11 5 11 1 12 6 9 1 13 6 25 1 14 6 26 1 15 7 8 1 16 7 23 1 17 7 24 1 18 8 29 1 19 8 30 1 20 9 27 1 21 9 28 1 22 10 12 2 23 10 16 1 24 11 15 2 25 12 13 1 26 12 17 1 27 13 14 1 28 13 31 1 29 13 32 1 30 14 15 1 31 14 33 1 32 14 34 1 33 15 18 1 34 16 19 2 35 16 36 1 36 17 20 2 37 17 37 1 38 18 21 2 39 18 38 1 40 19 20 1 41 19 39 1 42 21 22 1 43 21 40 1 44 22 41 1 @SUBSTRUCTURE 1 noname 1