@MOLECULE DB07119 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.2335 -1.4610 0.0000 Cl 1 noname -0.0665 2 C1 1.3900 0.0000 0.0000 C.2 1 noname 0.0238 3 C2 2.0850 1.2038 0.0000 C.2 1 noname 0.0322 4 C3 0.0000 0.0000 0.0000 C.2 1 noname -0.0096 5 O1 3.4350 1.2038 0.0000 O.3 1 noname -0.2776 6 C4 1.3900 2.4076 0.0000 C.2 1 noname -0.0187 7 C5 -0.6950 1.2038 0.0000 C.2 1 noname -0.0409 8 C6 -0.6950 -1.2038 0.0000 C.2 1 noname -0.0323 9 C7 -0.0000 2.4076 0.0000 C.2 1 noname -0.0371 10 C8 -2.0850 1.2038 0.0000 C.2 1 noname -0.0357 11 C9 -2.0850 -1.2038 0.0000 C.2 1 noname -0.0417 12 C10 -2.7800 0.0000 0.0000 C.2 1 noname -0.0357 13 C11 -4.1700 -0.0000 0.0000 C.2 1 noname -0.0530 14 C12 -4.8650 -1.2038 0.0000 C.2 1 noname -0.0374 15 C13 -4.8650 1.2038 0.0000 C.2 1 noname -0.0374 16 C14 -6.2550 -1.2038 0.0000 C.2 1 noname -0.0281 17 C15 -6.2550 1.2038 0.0000 C.2 1 noname -0.0281 18 C16 -6.9500 -0.0000 0.0000 C.2 1 noname 0.0003 19 O2 -8.3000 -0.0000 0.0000 O.3 1 noname -0.2860 20 H1 3.7550 1.2038 0.9051 H 1 noname 0.2182 21 H2 1.9350 3.3515 0.0000 H 1 noname 0.0650 22 H3 -0.1500 -2.1477 0.0000 H 1 noname 0.0629 23 H4 -0.5450 3.3515 0.0000 H 1 noname 0.0630 24 H5 -2.6300 2.1477 0.0000 H 1 noname 0.0635 25 H6 -2.6300 -2.1477 0.0000 H 1 noname 0.0629 26 H7 -4.3200 -2.1477 0.0000 H 1 noname 0.0630 27 H8 -4.3200 2.1477 0.0000 H 1 noname 0.0630 28 H9 -6.8000 -2.1477 0.0000 H 1 noname 0.0650 29 H10 -6.8000 2.1477 0.0000 H 1 noname 0.0650 30 H11 -8.6200 -0.0000 0.9051 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 2 8 6 9 2 9 7 10 2 10 7 9 1 11 8 11 1 12 10 12 1 13 11 12 2 14 12 13 1 15 13 14 2 16 13 15 1 17 14 16 1 18 15 17 2 19 16 18 2 20 17 18 1 21 18 19 1 22 5 20 1 23 6 21 1 24 8 22 1 25 9 23 1 26 10 24 1 27 11 25 1 28 14 26 1 29 15 27 1 30 16 28 1 31 17 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1