@MOLECULE 86312976 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.0969 1.8525 -4.0818 Cl 1 noname -0.0845 2 O1 -0.5564 -2.2836 0.2320 O.3 1 noname -0.3806 3 C1 -0.5603 -0.8814 0.4563 C.3 1 noname 0.1119 4 C2 0.0942 -0.2080 -0.6616 C.2 1 noname -0.0352 5 C3 -1.9377 -0.4105 0.5691 C.2 1 noname -0.0393 6 C4 0.1929 -0.5699 1.7511 C.3 1 noname -0.0275 7 C5 0.7667 0.9906 -0.4535 C.2 1 noname -0.0365 8 C6 0.0450 -0.7654 -1.9340 C.2 1 noname -0.0365 9 C7 -2.8204 -0.5836 -0.4906 C.2 1 noname -0.0469 10 C8 -2.3663 0.2110 1.7362 C.2 1 noname -0.0469 11 C9 1.3898 1.6318 -1.5178 C.2 1 noname -0.0231 12 C10 0.6681 -0.1243 -2.9983 C.2 1 noname -0.0231 13 C11 -4.1317 -0.1352 -0.3832 C.2 1 noname -0.0578 14 C12 -3.6776 0.6594 1.8436 C.2 1 noname -0.0578 15 C13 1.3406 1.0743 -2.7902 C.2 1 noname -0.0119 16 C14 -4.5603 0.4863 0.7839 C.2 1 noname -0.0609 17 H1 0.1898 0.5065 1.9232 H 1 noname 0.0267 18 H2 -0.2958 -1.0726 2.5856 H 1 noname 0.0267 19 H3 1.2212 -0.9214 1.6668 H 1 noname 0.0267 20 H4 0.8028 1.3997 0.4802 H 1 noname 0.0627 21 H5 -0.4485 -1.6449 -2.0867 H 1 noname 0.0627 22 H6 -2.5059 -1.0396 -1.3471 H 1 noname 0.0626 23 H7 -1.7185 0.3380 2.5138 H 1 noname 0.0626 24 H8 -0.9958 -2.7356 0.9824 H 1 noname 0.2118 25 H9 1.8833 2.5113 -1.3651 H 1 noname 0.0638 26 H10 0.6320 -0.5333 -3.9319 H 1 noname 0.0638 27 H11 -4.7794 -0.2622 -1.1608 H 1 noname 0.0622 28 H12 -3.9921 1.1154 2.7001 H 1 noname 0.0622 29 H13 -5.5226 0.8153 0.8628 H 1 noname 0.0622 @BOND 1 1 15 1 2 3 2 1 3 2 24 1 4 3 4 1 5 3 5 1 6 3 6 1 7 4 7 2 8 4 8 1 9 5 9 2 10 5 10 1 11 6 17 1 12 6 18 1 13 6 19 1 14 7 11 1 15 7 20 1 16 8 12 2 17 8 21 1 18 9 13 1 19 9 22 1 20 10 14 2 21 10 23 1 22 11 15 2 23 11 25 1 24 12 15 1 25 12 26 1 26 13 16 2 27 13 27 1 28 14 16 1 29 14 28 1 30 16 29 1 @SUBSTRUCTURE 1 noname 1