@MOLECULE 119025641 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -5.2899 -2.8870 0.9967 Cl 1 noname -0.0639 2 O1 -1.7446 2.4762 0.9462 O.3 1 noname -0.2198 3 O2 -0.9252 2.7979 -0.8658 O.2 1 noname -0.2491 4 O3 -1.8808 -4.4756 -0.8859 O.3 1 noname -0.2245 5 O4 -3.4640 -3.7211 -1.8154 O.2 1 noname -0.2552 6 N1 1.4742 1.4795 -0.2033 N.3 1 noname -0.0120 7 N2 1.0997 -0.6997 -0.1918 N.2 1 noname -0.2155 8 N3 -0.7000 2.3438 0.1832 N.2 1 noname -0.1941 9 N4 -2.9928 -3.8852 -0.7627 N.2 1 noname -0.1991 10 C1 -0.0715 -0.0886 0.0851 C.2 1 noname 0.0715 11 C2 -1.2986 -0.7978 0.3240 C.2 1 noname -0.0112 12 C3 0.1563 1.2998 0.0497 C.2 1 noname -0.0002 13 C4 -1.5699 -2.0144 -0.3574 C.2 1 noname 0.0309 14 C5 2.0301 0.2618 -0.3531 C.2 1 noname -0.0452 15 C6 -2.2718 -0.3206 1.2504 C.2 1 noname -0.0209 16 C7 -2.8034 -2.6863 -0.1607 C.2 1 noname 0.0567 17 C8 2.1791 2.7336 -0.2822 C.3 1 noname -0.0488 18 C9 -3.5440 -0.9124 1.3585 C.2 1 noname -0.0059 19 C10 -3.8013 -2.1249 0.6730 C.2 1 noname 0.0467 20 H1 -0.8555 -2.4255 -0.9827 H 1 noname 0.0663 21 H2 3.0231 0.0817 -0.5637 H 1 noname 0.1016 22 H3 -2.0552 0.4250 1.9073 H 1 noname 0.0630 23 H4 2.6205 2.8406 -1.2731 H 1 noname 0.0437 24 H5 1.4832 3.5534 -0.1040 H 1 noname 0.0437 25 H6 2.9669 2.7555 0.4708 H 1 noname 0.0437 26 H7 -4.2496 -0.4698 1.9488 H 1 noname 0.0639 27 H8 -1.9611 3.4273 1.0416 H 1 noname 0.2598 28 H9 -2.0178 -5.3428 -1.3213 H 1 noname 0.2597 29 H10 -0.1210 3.0069 0.4983 H 1 noname 0.2792 30 H11 -3.5672 -4.4080 -0.2422 H 1 noname 0.2775 @BOND 1 1 19 1 2 2 8 1 3 2 27 1 4 3 8 2 5 4 9 1 6 4 28 1 7 5 9 2 8 6 12 1 9 6 14 1 10 6 17 1 11 7 10 1 12 7 14 2 13 8 12 1 14 8 29 1 15 9 16 1 16 9 30 1 17 10 11 1 18 10 12 2 19 11 13 2 20 11 15 1 21 13 16 1 22 13 20 1 23 14 21 1 24 15 18 2 25 15 22 1 26 16 19 2 27 17 23 1 28 17 24 1 29 17 25 1 30 18 19 1 31 18 26 1 @SUBSTRUCTURE 1 noname 1