@MOLECULE MHET 24 24 1 0 0 SMALL NO_CHARGES @ATOM 1 O1 5.2072 0.5310 0.8953 O.3 1 MHT 0.000000 2 C1 3.8019 0.7264 1.0098 C.3 1 MHT 0.000000 3 C2 3.0291 -0.3772 0.2974 C.3 1 MHT 0.000000 4 O2 1.6295 -0.0978 0.3918 O.3 1 MHT 0.000000 5 C3 0.8421 -0.9742 -0.2844 C.2 1 MHT 0.000000 6 O3 1.2469 -1.9311 -0.9272 O.2 1 MHT 0.000000 7 C4 -0.5932 -0.6061 -0.1493 C.ar 1 MHT 0.000000 8 C5 -1.0170 0.4897 0.6129 C.ar 1 MHT 0.000000 9 C6 -2.3782 0.7970 0.7015 C.ar 1 MHT 0.000000 10 C7 -3.3406 0.0212 0.0350 C.ar 1 MHT 0.000000 11 C8 -2.9024 -1.0762 -0.7235 C.ar 1 MHT 0.000000 12 C9 -1.5430 -1.3891 -0.8163 C.ar 1 MHT 0.000000 13 C10 -4.8163 0.3623 0.1325 C.2 1 MHT 0.000000 14 O4 -5.1290 1.3726 0.8377 O.co2 1 MHT 0.000000 15 O5 -5.6255 -0.3872 -0.4988 O.co2 1 MHT 0.000000 16 HO1 5.4286 0.5778 -0.0509 H 1 MHT 0.000000 17 H11 3.5466 1.7095 0.5996 H 1 MHT 0.000000 18 H12 3.5400 0.7480 2.0728 H 1 MHT 0.000000 19 H21 3.3381 -0.4206 -0.7543 H 1 MHT 0.000000 20 H22 3.2524 -1.3451 0.7619 H 1 MHT 0.000000 21 H5 -0.3094 1.1176 1.1452 H 1 MHT 0.000000 22 H6 -2.7068 1.6503 1.2941 H 1 MHT 0.000000 23 H8 -3.6390 -1.6869 -1.2448 H 1 MHT 0.000000 24 H9 -1.2368 -2.2448 -1.4127 H 1 MHT 0.000000 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 ar 8 8 9 ar 9 9 10 ar 10 10 11 ar 11 11 12 ar 12 10 13 1 13 13 14 ar 14 13 15 ar 15 7 12 ar 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 8 21 1 22 9 22 1 23 11 23 1 24 12 24 1 @SUBSTRUCTURE 1 MHT 1 RESIDUE 4 A MHT 0 ROOT