@MOLECULE DB07422 42 43 1 SMALL USER_CHARGES @ATOM 1 F1 0.6848 2.7039 5.4366 F 1 noname -0.1351 2 C1 0.9882 2.9966 4.2058 C.2 1 noname 0.1255 3 C2 0.2576 2.4449 3.1599 C.2 1 noname 0.1284 4 C3 2.0430 3.8610 3.9367 C.2 1 noname 0.1284 5 F2 -0.7296 1.6359 3.4118 F 1 noname -0.1346 6 C4 0.5817 2.7576 1.8449 C.2 1 noname 0.1139 7 F3 2.7268 4.3773 4.9157 F 1 noname -0.1346 8 C5 2.3671 4.1737 2.6217 C.2 1 noname 0.1139 9 F4 -0.1021 2.2413 0.8659 F 1 noname -0.1381 10 C6 1.6365 3.6220 1.5758 C.2 1 noname 0.1154 11 F5 3.3543 4.9827 2.3699 F 1 noname -0.1381 12 O1 1.9513 3.9257 0.2986 O.3 1 noname -0.2407 13 C7 1.2196 5.0722 -0.1094 C.3 1 noname 0.0907 14 C8 1.5763 5.4164 -1.5569 C.3 1 noname 0.1587 15 O2 2.9676 5.6848 -1.6504 O.3 1 noname -0.3783 16 C9 0.8240 6.5952 -1.9765 C.2 1 noname 0.1467 17 C10 1.2226 4.2361 -2.4639 C.3 1 noname -0.0251 18 O3 0.0392 6.5230 -2.9467 O.2 1 noname -0.2637 19 N1 0.9748 7.7544 -1.3214 N.3 1 noname -0.1277 20 C11 0.2842 8.8363 -1.7065 C.2 1 noname 0.0188 21 C12 0.4406 10.0388 -1.0271 C.2 1 noname 0.0252 22 C13 -0.5885 8.7560 -2.7854 C.2 1 noname -0.0065 23 C14 -0.2757 11.1610 -1.4265 C.2 1 noname 0.0798 24 C15 -1.3048 9.8783 -3.1849 C.2 1 noname 0.0421 25 C16 -1.1484 11.0808 -2.5054 C.2 1 noname 0.0660 26 C17 -0.1114 12.4241 -0.7129 C.3 1 noname 0.4184 27 N2 -1.8209 12.1344 -2.8805 N.2 1 noname -0.0077 28 F6 -1.0201 12.4917 0.3115 F 1 noname -0.1660 29 F7 1.1589 12.4988 -0.2026 F 1 noname -0.1660 30 F8 -0.3187 13.4678 -1.5773 F 1 noname -0.1660 31 O4 -2.8693 12.0113 -3.3734 O.2 1 noname -0.1435 32 O5 -1.3344 13.2894 -2.7087 O.3 1 noname -0.1435 33 H1 0.1717 4.7733 -0.0819 H 1 noname 0.0607 34 H2 1.5717 5.8838 0.5273 H 1 noname 0.0607 35 H3 3.3397 5.7566 -0.7684 H 1 noname 0.2116 36 H4 0.9636 3.3722 -1.8516 H 1 noname 0.0266 37 H5 0.3735 4.5031 -3.0931 H 1 noname 0.0266 38 H6 2.0785 3.9920 -3.0931 H 1 noname 0.0266 39 H7 1.6089 7.8127 -0.5375 H 1 noname 0.1372 40 H8 1.1250 10.1017 -0.1810 H 1 noname 0.0646 41 H9 -0.7111 7.8131 -3.3182 H 1 noname 0.0640 42 H10 -1.9891 9.8154 -4.0309 H 1 noname 0.0647 @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 1 9 6 10 2 10 8 11 1 11 8 10 1 12 10 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 14 17 1 18 16 18 2 19 16 19 1 20 19 20 1 21 20 21 2 22 20 22 1 23 21 23 1 24 22 24 2 25 23 25 2 26 23 26 1 27 24 25 1 28 25 27 1 29 26 28 1 30 26 29 1 31 26 30 1 32 27 31 2 33 27 32 1 34 13 33 1 35 13 34 1 36 15 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 19 39 1 41 21 40 1 42 22 41 1 43 24 42 1 @SUBSTRUCTURE 1 noname 1