@MOLECULE 119026190 29 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.4556 6.3521 -0.9895 Cl 1 noname -0.0674 2 Cl2 3.4122 6.4239 -3.1581 Cl 1 noname -0.0851 3 O1 0.8863 1.0120 1.8247 O.3 1 noname -0.1358 4 O2 -0.7014 3.6710 -0.1023 O.3 1 noname -0.1663 5 O3 -1.1377 1.4899 -1.7443 O.3 1 noname -0.2710 6 O4 0.6373 3.2388 2.2354 O.2 1 noname -0.2363 7 C1 0.0095 0.0427 -0.2289 C.2 1 noname 0.0150 8 C2 0.7121 -0.0968 1.0318 C.2 1 noname 0.0336 9 C3 -0.4672 1.3290 -0.5837 C.2 1 noname 0.0423 10 C4 -0.2535 2.4490 0.2563 C.2 1 noname 0.1134 11 C5 -0.1981 -1.0817 -1.0760 C.2 1 noname -0.0197 12 C6 1.2138 -1.3615 1.4519 C.2 1 noname -0.0092 13 C7 0.4363 2.2664 1.4761 C.2 1 noname 0.1553 14 C8 0.2533 4.3099 -0.8115 C.2 1 noname 0.0379 15 C9 0.3055 -2.3410 -0.6436 C.2 1 noname -0.0542 16 C10 0.9978 -2.4787 0.5947 C.2 1 noname -0.0392 17 C11 0.0202 5.5931 -1.2923 C.2 1 noname 0.0333 18 C12 1.4693 3.6845 -1.0610 C.2 1 noname -0.0026 19 C13 1.0032 6.2509 -2.0225 C.2 1 noname 0.0152 20 C14 2.4523 4.3423 -1.7912 C.2 1 noname -0.0147 21 C15 2.2192 5.6255 -2.2719 C.2 1 noname -0.0094 22 H1 -0.6915 -0.9884 -1.9639 H 1 noname 0.0630 23 H2 1.7110 -1.4641 2.3365 H 1 noname 0.0650 24 H3 0.1680 -3.1623 -1.2325 H 1 noname 0.0622 25 H4 1.3458 -3.3962 0.8729 H 1 noname 0.0623 26 H5 1.6404 2.7428 -0.7082 H 1 noname 0.0651 27 H6 0.8321 7.1926 -2.3752 H 1 noname 0.0654 28 H7 3.3446 3.8833 -1.9743 H 1 noname 0.0639 29 H8 -1.3983 2.4294 -1.8434 H 1 noname 0.2183 @BOND 1 1 17 1 2 2 21 1 3 3 8 1 4 3 13 1 5 4 10 1 6 4 14 1 7 5 9 1 8 5 29 1 9 6 13 2 10 7 8 1 11 7 9 1 12 7 11 2 13 8 12 2 14 9 10 2 15 10 13 1 16 11 15 1 17 11 22 1 18 12 16 1 19 12 23 1 20 14 17 2 21 14 18 1 22 15 16 2 23 15 24 1 24 16 25 1 25 17 19 1 26 18 20 2 27 18 26 1 28 19 21 2 29 19 27 1 30 20 21 1 31 20 28 1 @SUBSTRUCTURE 1 noname 1