@MOLECULE 71374602 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 1.7358 -3.8448 1.3236 O.3 1 noname -0.2856 2 O2 -1.7120 6.2153 1.7744 O.2 1 noname -0.3007 3 C1 -0.1605 3.5491 -0.1214 C.3 1 noname -0.0210 4 C2 0.4054 2.2388 0.1860 C.2 1 noname -0.0497 5 C3 0.1349 -0.1384 0.4540 C.2 1 noname -0.0495 6 C4 -0.6699 4.1995 1.1664 C.3 1 noname 0.0098 7 C5 1.4831 -0.2560 0.7714 C.2 1 noname -0.0329 8 C6 -0.4039 1.1090 0.1613 C.2 1 noname -0.0452 9 C7 1.7536 2.1212 0.5034 C.2 1 noname -0.0516 10 C8 2.2924 0.8738 0.7961 C.2 1 noname -0.0439 11 C9 -0.6744 -1.2682 0.4293 C.2 1 noname -0.0381 12 C10 2.0219 -1.5035 1.0641 C.2 1 noname -0.0189 13 C11 -1.2358 5.5098 0.8590 C.2 1 noname 0.1307 14 C12 1.2125 -2.6333 1.0394 C.2 1 noname 0.0028 15 C13 -0.1356 -2.5157 0.7220 C.2 1 noname -0.0276 16 C14 -1.2456 5.9960 -0.5177 C.3 1 noname -0.0057 17 H1 -0.9879 3.4324 -0.8213 H 1 noname 0.0320 18 H2 0.6072 4.1807 -0.5684 H 1 noname 0.0320 19 H3 -1.4376 3.5680 1.6134 H 1 noname 0.0349 20 H4 0.1575 4.3163 1.8664 H 1 noname 0.0349 21 H5 -1.3932 1.1954 -0.0716 H 1 noname 0.0632 22 H6 2.3475 2.9503 0.5216 H 1 noname 0.0625 23 H7 3.2817 0.7874 1.0290 H 1 noname 0.0629 24 H8 -1.6637 -1.1819 0.1964 H 1 noname 0.0630 25 H9 3.0112 -1.5898 1.2970 H 1 noname 0.0656 26 H10 -0.7295 -3.3447 0.7038 H 1 noname 0.0650 27 H11 -2.2736 6.1765 -0.8319 H 1 noname 0.0310 28 H12 -0.7920 5.2496 -1.1698 H 1 noname 0.0310 29 H13 -0.6785 6.9248 -0.5790 H 1 noname 0.0310 30 H14 2.6905 -3.7496 1.5237 H 1 noname 0.2181 @BOND 1 1 14 1 2 1 30 1 3 2 13 2 4 3 4 1 5 3 6 1 6 3 17 1 7 3 18 1 8 4 8 2 9 4 9 1 10 5 7 2 11 5 8 1 12 5 11 1 13 6 13 1 14 6 19 1 15 6 20 1 16 7 10 1 17 7 12 1 18 8 21 1 19 9 10 2 20 9 22 1 21 10 23 1 22 11 15 2 23 11 24 1 24 12 14 2 25 12 25 1 26 13 16 1 27 14 15 1 28 15 26 1 29 16 27 1 30 16 28 1 31 16 29 1 @SUBSTRUCTURE 1 noname 1