@MOLECULE 56841697 42 43 1 SMALL USER_CHARGES @ATOM 1 Cl1 -6.0513 -2.9535 2.4876 Cl 1 noname -0.0580 2 Cl2 -7.9552 -2.1360 0.5692 Cl 1 noname -0.0580 3 F1 -8.2639 -6.9952 -5.9336 F 1 noname -0.1472 4 F2 -10.9813 -3.9162 -3.5414 F 1 noname -0.1472 5 F3 -12.9273 -5.7151 -3.4420 F 1 noname -0.1472 6 F4 -10.2063 -8.8066 -5.8000 F 1 noname -0.1472 7 O1 -7.5144 -4.3708 -3.7192 O.3 1 noname -0.2023 8 O2 -6.2774 -2.6737 -4.5696 O.2 1 noname -0.2523 9 O3 -12.8625 -8.6750 -3.1164 O.3 1 noname -0.3796 10 C1 -4.2611 -2.7065 -2.4176 C.3 1 noname -0.0154 11 C2 -5.5010 -2.4604 -1.4815 C.3 1 noname -0.0020 12 C3 -5.5332 -3.6154 -2.5138 C.3 1 noname 0.0577 13 C4 -2.9937 -3.4874 -1.9424 C.3 1 noname -0.0585 14 C5 -3.8589 -1.5830 -3.4251 C.3 1 noname -0.0585 15 C6 -5.4181 -2.7460 -0.0372 C.2 1 noname -0.0009 16 C7 -6.4605 -3.5228 -3.6583 C.2 1 noname 0.1435 17 C8 -6.3923 -2.6257 0.8863 C.2 1 noname 0.0275 18 C9 -8.4665 -4.3828 -4.7960 C.3 1 noname 0.0874 19 C10 -9.5425 -5.3951 -4.7251 C.2 1 noname 0.0889 20 C11 -9.3703 -6.6645 -5.3228 C.2 1 noname 0.0948 21 C12 -10.7682 -5.0797 -4.0975 C.2 1 noname 0.0948 22 C13 -11.8054 -6.0444 -4.0462 C.2 1 noname 0.0947 23 C14 -10.4118 -7.6261 -5.2584 C.2 1 noname 0.0947 24 C15 -11.6274 -7.3200 -4.6182 C.2 1 noname 0.0887 25 C16 -12.6796 -8.3480 -4.4933 C.3 1 noname 0.0773 26 C17 -13.9591 -9.5719 -3.1365 C.3 1 noname 0.0360 27 H1 -6.1268 -1.6204 -1.7830 H 1 noname 0.0361 28 H2 -5.4598 -4.6151 -2.0625 H 1 noname 0.0421 29 H3 -3.4367 -2.0044 -4.3523 H 1 noname 0.0236 30 H4 -4.6891 -0.9303 -3.6935 H 1 noname 0.0236 31 H5 -3.0628 -0.9938 -2.9699 H 1 noname 0.0236 32 H6 -2.2689 -3.5330 -2.7552 H 1 noname 0.0236 33 H7 -3.2778 -4.4988 -1.6518 H 1 noname 0.0236 34 H8 -2.5502 -2.9752 -1.0885 H 1 noname 0.0236 35 H9 -4.5334 -3.0436 0.2996 H 1 noname 0.0604 36 H10 -8.9069 -3.3914 -4.9027 H 1 noname 0.0626 37 H11 -7.8563 -4.5941 -5.6741 H 1 noname 0.0626 38 H12 -13.6137 -7.9634 -4.9026 H 1 noname 0.0619 39 H13 -12.3955 -9.2679 -5.0044 H 1 noname 0.0619 40 H14 -14.1872 -9.8898 -2.1191 H 1 noname 0.0529 41 H15 -14.8285 -9.0733 -3.5649 H 1 noname 0.0529 42 H16 -13.7051 -10.4428 -3.7408 H 1 noname 0.0529 @BOND 1 1 17 1 2 2 17 1 3 3 20 1 4 4 21 1 5 5 22 1 6 6 23 1 7 7 16 1 8 7 18 1 9 8 16 2 10 9 25 1 11 9 26 1 12 10 11 1 13 10 12 1 14 10 13 1 15 10 14 1 16 11 12 1 17 11 15 1 18 11 27 1 19 12 16 1 20 12 28 1 21 13 32 1 22 13 33 1 23 13 34 1 24 14 29 1 25 14 30 1 26 14 31 1 27 15 17 2 28 15 35 1 29 18 19 1 30 18 36 1 31 18 37 1 32 19 20 2 33 19 21 1 34 20 23 1 35 21 22 2 36 22 24 1 37 23 24 2 38 24 25 1 39 25 38 1 40 25 39 1 41 26 40 1 42 26 41 1 43 26 42 1 @SUBSTRUCTURE 1 noname 1