@MOLECULE 71587945 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 2.1934 -0.3360 3.1401 O.2 1 noname -0.2982 2 C1 -0.0261 -0.0650 0.1576 C.3 1 noname -0.0285 3 C2 1.3678 -0.1392 0.8804 C.3 1 noname 0.0315 4 C3 0.5718 2.0425 -0.0498 C.3 1 noname -0.0375 5 C4 1.8598 1.3413 0.5522 C.3 1 noname -0.0288 6 C5 -0.5972 1.3047 0.6074 C.3 1 noname -0.0463 7 C6 0.0003 0.1411 -1.3881 C.3 1 noname -0.0492 8 C7 0.2919 1.6591 -1.5336 C.3 1 noname -0.0498 9 C8 2.2994 -1.2669 0.3036 C.3 1 noname -0.0522 10 C9 3.1268 1.4866 -0.3632 C.3 1 noname -0.0613 11 C10 1.1956 -0.3980 2.3778 C.2 1 noname 0.1349 12 C11 -0.0184 -0.7878 3.1419 C.3 1 noname -0.0051 13 H1 -0.6656 -0.9097 0.4161 H 1 noname 0.0313 14 H2 0.5566 3.1284 0.1215 H 1 noname 0.0306 15 H3 2.1156 1.8596 1.4839 H 1 noname 0.0313 16 H4 -1.5840 1.5228 0.2002 H 1 noname 0.0272 17 H5 -0.6394 1.5616 1.6515 H 1 noname 0.0272 18 H6 -0.9795 -0.1101 -1.7980 H 1 noname 0.0270 19 H7 0.7214 -0.4852 -1.9013 H 1 noname 0.0270 20 H8 -0.6189 2.1794 -1.8785 H 1 noname 0.0269 21 H9 1.1249 1.8852 -2.2131 H 1 noname 0.0269 22 H10 3.2608 -1.2624 0.8117 H 1 noname 0.0241 23 H11 1.8686 -2.2584 0.4397 H 1 noname 0.0241 24 H12 2.5144 -1.1283 -0.7466 H 1 noname 0.0241 25 H13 3.3932 2.5280 -0.5220 H 1 noname 0.0234 26 H14 2.9372 1.0486 -1.3355 H 1 noname 0.0234 27 H15 4.0105 1.0168 0.0907 H 1 noname 0.0234 28 H16 -0.8319 -0.0471 3.0773 H 1 noname 0.0310 29 H17 -0.3773 -1.7535 2.7858 H 1 noname 0.0310 30 H18 0.2614 -0.8983 4.1895 H 1 noname 0.0310 @BOND 1 1 11 2 2 2 3 1 3 2 6 1 4 2 7 1 5 2 13 1 6 3 5 1 7 3 9 1 8 3 11 1 9 4 5 1 10 4 6 1 11 4 8 1 12 4 14 1 13 5 10 1 14 5 15 1 15 6 16 1 16 6 17 1 17 7 8 1 18 7 18 1 19 7 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 10 27 1 28 11 12 1 29 12 28 1 30 12 29 1 31 12 30 1 @SUBSTRUCTURE 1 noname 1