@MOLECULE 91826824 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 2.5468 -0.9411 -0.2932 O.3 1 noname -0.2713 2 O2 -2.2056 -5.2286 -0.3077 O.3 1 noname -0.2856 3 O3 1.2824 4.7853 0.1482 O.2 1 noname -0.3033 4 C1 0.1596 -0.0940 -0.2167 C.2 1 noname 0.0051 5 C2 -0.4921 -1.3880 -0.3550 C.2 1 noname -0.0506 6 C3 1.5935 0.0649 -0.2466 C.2 1 noname 0.0198 7 C4 -0.6091 1.0896 0.0119 C.2 1 noname -0.0307 8 C5 2.1583 1.3593 -0.2616 C.2 1 noname 0.0109 9 C6 1.3574 2.5076 -0.0851 C.2 1 noname -0.0155 10 C7 -0.0318 2.3535 0.0807 C.2 1 noname -0.0294 11 C8 -1.8824 -1.5692 -0.0656 C.2 1 noname -0.0321 12 C9 0.2184 -2.5510 -0.7795 C.2 1 noname -0.0321 13 C10 2.7405 -1.6197 0.9659 C.3 1 noname 0.0506 14 C11 -2.4636 -2.8476 -0.0733 C.2 1 noname -0.0267 15 C12 -0.2889 -3.8353 -0.5475 C.2 1 noname -0.0267 16 C13 -1.6600 -3.9902 -0.2796 C.2 1 noname 0.0044 17 C14 3.8075 -2.7040 0.8020 C.3 1 noname -0.0410 18 C15 1.9281 3.7612 -0.0351 C.2 1 noname 0.0890 19 H1 -1.6168 1.1110 0.1546 H 1 noname 0.0630 20 H2 3.1707 1.4469 -0.3983 H 1 noname 0.0657 21 H3 -0.6598 3.1574 0.2433 H 1 noname 0.0630 22 H4 -2.5245 -0.8016 0.1485 H 1 noname 0.0630 23 H5 1.1204 -2.5052 -1.2576 H 1 noname 0.0630 24 H6 1.8025 -2.0775 1.2800 H 1 noname 0.0568 25 H7 3.0647 -0.9019 1.7194 H 1 noname 0.0568 26 H8 -3.4810 -2.9147 0.0410 H 1 noname 0.0650 27 H9 0.3294 -4.6528 -0.6399 H 1 noname 0.0650 28 H10 3.9538 -3.2164 1.7528 H 1 noname 0.0254 29 H11 3.4833 -3.4218 0.0485 H 1 noname 0.0254 30 H12 4.7455 -2.2462 0.4879 H 1 noname 0.0254 31 H13 2.9378 3.8397 -0.1567 H 1 noname 0.1098 32 H14 -3.1734 -5.1625 -0.1687 H 1 noname 0.2181 @BOND 1 1 6 1 2 1 13 1 3 2 16 1 4 2 32 1 5 3 18 2 6 4 5 1 7 4 6 2 8 4 7 1 9 5 11 2 10 5 12 1 11 6 8 1 12 7 10 2 13 7 19 1 14 8 9 2 15 8 20 1 16 9 10 1 17 9 18 1 18 10 21 1 19 11 14 1 20 11 22 1 21 12 15 2 22 12 23 1 23 13 17 1 24 13 24 1 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 17 28 1 31 17 29 1 32 17 30 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1