@MOLECULE 71587205 28 29 1 SMALL USER_CHARGES @ATOM 1 Cl1 5.6111 -2.0112 0.6742 Cl 1 noname -0.0607 2 Cl2 5.6394 -4.7594 -0.7096 Cl 1 noname -0.0587 3 S1 0.3218 -0.0555 -0.0113 S.3 1 noname -0.1886 4 O1 3.1958 -5.3863 -2.1862 O.3 1 noname -0.2566 5 O2 4.1364 -0.0793 0.9577 O.2 1 noname -0.2893 6 O3 4.1955 -6.6688 -5.4186 O.3 1 noname -0.2113 7 O4 3.3190 -7.5642 -3.5471 O.2 1 noname -0.2461 8 C1 3.1578 -1.6977 -0.3288 C.2 1 noname 0.0092 9 C2 4.2731 -2.5200 -0.2184 C.2 1 noname 0.0644 10 C3 2.0553 -2.1169 -1.0643 C.2 1 noname 0.0008 11 C4 3.1834 -4.1806 -1.5790 C.2 1 noname 0.0547 12 C5 3.1450 -0.4563 0.2963 C.2 1 noname 0.0875 13 C6 4.2858 -3.7614 -0.8436 C.2 1 noname 0.0552 14 C7 2.0681 -3.3583 -1.6894 C.2 1 noname -0.0080 15 C8 2.0297 0.3660 0.1859 C.2 1 noname 0.0494 16 C9 1.9379 1.7620 0.1992 C.2 1 noname 0.0094 17 C10 0.6462 2.3295 0.0649 C.2 1 noname -0.0149 18 C11 3.7210 -5.2501 -3.4984 C.3 1 noname 0.1390 19 C12 -0.4902 1.5132 -0.0754 C.2 1 noname 0.0294 20 C13 3.7344 -6.5541 -4.1550 C.2 1 noname 0.1487 21 H1 1.2369 -1.5135 -1.1453 H 1 noname 0.0631 22 H2 1.2591 -3.6659 -2.2291 H 1 noname 0.0650 23 H3 2.7669 2.3474 0.3013 H 1 noname 0.0639 24 H4 0.5394 3.3439 0.0700 H 1 noname 0.0631 25 H5 3.0978 -4.5621 -4.0696 H 1 noname 0.0682 26 H6 4.7374 -4.8601 -3.4443 H 1 noname 0.0682 27 H7 -1.4762 1.7520 -0.1811 H 1 noname 0.0739 28 H8 3.8348 -7.3614 -6.0108 H 1 noname 0.2213 @BOND 1 1 9 1 2 2 13 1 3 3 15 1 4 3 19 1 5 4 11 1 6 4 18 1 7 5 12 2 8 6 20 1 9 6 28 1 10 7 20 2 11 8 9 2 12 8 10 1 13 8 12 1 14 9 13 1 15 10 14 2 16 10 21 1 17 11 13 2 18 11 14 1 19 12 15 1 20 14 22 1 21 15 16 2 22 16 17 1 23 16 23 1 24 17 19 2 25 17 24 1 26 18 20 1 27 18 25 1 28 18 26 1 29 19 27 1 @SUBSTRUCTURE 1 noname 1