@MOLECULE 59018629 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.1625 -1.3774 -2.1823 O.2 1 noname -0.3050 2 C1 0.4488 0.2653 0.9644 C.3 1 noname -0.0221 3 C2 1.3160 -0.0365 -0.2594 C.3 1 noname 0.0205 4 C3 0.5118 1.2634 -0.1934 C.3 1 noname -0.0371 5 C4 -0.8522 -0.5352 0.8775 C.3 1 noname -0.0437 6 C5 1.1754 0.6492 2.2550 C.3 1 noname -0.0589 7 C6 0.6262 -0.9923 -1.1209 C.2 1 noname 0.1254 8 C7 -1.7193 -0.2334 2.1014 C.3 1 noname -0.0343 9 C8 -2.9353 -0.9815 2.0202 C.2 1 noname -0.0839 10 C9 -3.8470 -0.8754 2.9828 C.2 1 noname -0.0822 11 C10 -5.0629 -1.6235 2.9016 C.3 1 noname -0.0442 12 C11 -3.6111 -0.0131 4.0990 C.3 1 noname -0.0442 13 H1 2.3963 0.0494 -0.1423 H 1 noname 0.0385 14 H2 -0.3851 1.1672 -0.8052 H 1 noname 0.0280 15 H3 1.0703 2.1841 -0.0248 H 1 noname 0.0280 16 H4 -1.3912 -0.2553 -0.0276 H 1 noname 0.0275 17 H5 -0.6223 -1.6003 0.8489 H 1 noname 0.0275 18 H6 0.4444 0.8362 3.0416 H 1 noname 0.0236 19 H7 1.8340 -0.1651 2.5572 H 1 noname 0.0236 20 H8 1.7654 1.5499 2.0857 H 1 noname 0.0236 21 H9 -0.2934 -1.3459 -0.8567 H 1 noname 0.1044 22 H10 -1.9493 0.8317 2.1301 H 1 noname 0.0310 23 H11 -1.1803 -0.5132 3.0065 H 1 noname 0.0310 24 H12 -3.0986 -1.5784 1.2475 H 1 noname 0.0575 25 H13 -4.3913 0.7469 4.1422 H 1 noname 0.0276 26 H14 -3.6224 -0.5981 5.0187 H 1 noname 0.0276 27 H15 -5.9108 -0.9385 2.8890 H 1 noname 0.0276 28 H16 -5.1419 -2.2835 3.7654 H 1 noname 0.0276 29 H17 -5.0631 -2.2186 1.9884 H 1 noname 0.0276 30 H18 -2.6400 0.4690 3.9869 H 1 noname 0.0276 @BOND 1 1 7 2 2 2 3 1 3 2 4 1 4 2 5 1 5 2 6 1 6 3 4 1 7 3 7 1 8 3 13 1 9 4 14 1 10 4 15 1 11 5 8 1 12 5 16 1 13 5 17 1 14 6 18 1 15 6 19 1 16 6 20 1 17 7 21 1 18 8 9 1 19 8 22 1 20 8 23 1 21 9 10 2 22 9 24 1 23 10 11 1 24 10 12 1 25 11 27 1 26 11 28 1 27 11 29 1 28 12 25 1 29 12 26 1 30 12 30 1 @SUBSTRUCTURE 1 noname 1