@MOLECULE 73425488 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 -5.1114 -0.3031 3.2268 O.3 1 noname -0.3959 2 C1 -4.2779 -1.4549 1.2814 C.3 1 noname -0.0209 3 C2 -3.0013 -1.9789 0.6207 C.3 1 noname -0.0482 4 C3 -2.0410 -0.8142 0.3714 C.3 1 noname -0.0489 5 C4 -0.7644 -1.3382 -0.2893 C.3 1 noname 0.0053 6 C5 -3.9266 -0.7895 2.6136 C.3 1 noname 0.0457 7 C6 -5.2382 -2.6196 1.5307 C.3 1 noname -0.0603 8 C7 0.1520 -0.2267 -0.5272 C.2 1 noname -0.0579 9 C8 0.0972 0.4748 -1.7259 C.2 1 noname -0.0653 10 C9 1.0792 0.1299 0.4451 C.2 1 noname -0.0653 11 C10 0.9696 1.5329 -1.9524 C.2 1 noname -0.0635 12 C11 1.9516 1.1880 0.2186 C.2 1 noname -0.0635 13 C12 1.8968 1.8896 -0.9802 C.2 1 noname -0.0696 14 H1 -4.7536 -0.7259 0.6254 H 1 noname 0.0323 15 H2 -3.2516 -2.4530 -0.3284 H 1 noname 0.0270 16 H3 -2.5256 -2.7080 1.2767 H 1 noname 0.0270 17 H4 -2.5167 -0.0851 -0.2846 H 1 noname 0.0270 18 H5 -1.7907 -0.3401 1.3205 H 1 noname 0.0270 19 H6 -1.0147 -1.8122 -1.2383 H 1 noname 0.0316 20 H7 -0.2887 -2.0672 0.3667 H 1 noname 0.0316 21 H8 -3.4509 -1.5185 3.2696 H 1 noname 0.0566 22 H9 -3.2425 0.0403 2.4360 H 1 noname 0.0566 23 H10 -6.1477 -2.2463 2.0014 H 1 noname 0.0234 24 H11 -5.4885 -3.0937 0.5816 H 1 noname 0.0234 25 H12 -4.7625 -3.3487 2.1867 H 1 noname 0.0234 26 H13 -0.5832 0.2131 -2.4394 H 1 noname 0.0625 27 H14 1.1193 -0.3849 1.3247 H 1 noname 0.0625 28 H15 -4.8864 0.1231 4.0800 H 1 noname 0.2100 29 H16 0.9294 2.0477 -2.8321 H 1 noname 0.0622 30 H17 2.6319 1.4498 0.9320 H 1 noname 0.0622 31 H18 2.5370 2.6661 -1.1464 H 1 noname 0.0622 @BOND 1 1 6 1 2 1 28 1 3 2 3 1 4 2 6 1 5 2 7 1 6 2 14 1 7 3 4 1 8 3 15 1 9 3 16 1 10 4 5 1 11 4 17 1 12 4 18 1 13 5 8 1 14 5 19 1 15 5 20 1 16 6 21 1 17 6 22 1 18 7 23 1 19 7 24 1 20 7 25 1 21 8 9 2 22 8 10 1 23 9 11 1 24 9 26 1 25 10 12 2 26 10 27 1 27 11 13 2 28 11 29 1 29 12 13 1 30 12 30 1 31 13 31 1 @SUBSTRUCTURE 1 noname 1