@MOLECULE 15869 28 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.7924 1.1579 -0.0944 Cl 1 noname -0.0869 2 C1 2.1061 1.1563 -0.0442 C.2 1 noname -0.0127 3 C2 1.4103 -0.0859 -0.0590 C.2 1 noname 0.0197 4 C3 1.4091 2.3992 0.0122 C.2 1 noname -0.0029 5 C4 -0.0132 -0.0501 -0.0117 C.2 1 noname 0.0124 6 C5 -0.0127 2.4532 0.0552 C.2 1 noname -0.0164 7 C6 -0.7459 -1.2623 -0.0324 C.2 1 noname 0.0966 8 C7 -0.7275 1.2173 0.0416 C.2 1 noname 0.0298 9 O1 -0.1610 -2.3667 -0.0537 O.2 1 noname -0.2889 10 C8 -2.1517 -1.1875 -0.0284 C.2 1 noname 0.0808 11 N1 -2.0968 1.2191 0.0876 N.3 1 noname 0.0549 12 C9 -2.8015 0.0446 0.0718 C.2 1 noname 0.0252 13 C10 -3.1385 -2.1494 -0.1881 C.2 1 noname 0.0945 14 O2 -2.7354 2.3498 0.1470 O.3 1 noname -0.3000 15 N2 -4.1167 -0.2079 0.0663 N.3 1 noname 0.0267 16 N3 -4.2967 -1.4794 -0.0980 N.2 1 noname -0.2670 17 C11 -2.9556 -3.5812 -0.4068 C.3 1 noname 0.4354 18 C12 -5.1376 0.7532 0.2151 C.3 1 noname -0.0226 19 F1 -3.5268 -3.9377 -1.6010 F 1 noname -0.1644 20 F2 -3.5522 -4.2790 0.6115 F 1 noname -0.1644 21 F3 -1.6160 -3.8716 -0.4362 F 1 noname -0.1644 22 H1 1.9491 -1.0323 -0.1050 H 1 noname 0.0646 23 H2 1.9765 3.3299 0.0227 H 1 noname 0.0638 24 H3 -0.5362 3.4084 0.0970 H 1 noname 0.0641 25 H4 -2.8723 2.5922 1.0658 H 1 noname 0.2387 26 H5 -5.3218 0.9266 1.2753 H 1 noname 0.0454 27 H6 -4.8301 1.6860 -0.2576 H 1 noname 0.0454 28 H7 -6.0502 0.3900 -0.2576 H 1 noname 0.0454 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 8 1 9 7 9 2 10 7 10 1 11 8 11 1 12 10 12 2 13 10 13 1 14 11 14 1 15 11 12 1 16 12 15 1 17 13 16 2 18 13 17 1 19 15 18 1 20 15 16 1 21 17 19 1 22 17 20 1 23 17 21 1 24 3 22 1 25 4 23 1 26 6 24 1 27 14 25 1 28 18 26 1 29 18 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1