@MOLECULE 66692593 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 1.1237 1.5621 -1.1659 O.3 1 noname -0.2673 2 O2 2.4509 -1.3162 0.9443 O.3 1 noname -0.3896 3 C1 1.4401 -0.4748 0.3748 C.3 1 noname 0.0891 4 C2 1.9514 0.4013 -0.8216 C.3 1 noname 0.1154 5 C3 0.8180 0.3748 1.5120 C.3 1 noname 0.0344 6 C4 -0.0777 1.4332 1.0126 C.2 1 noname -0.0249 7 C5 3.4141 0.8965 -0.6620 C.2 1 noname -0.0410 8 C6 0.1388 2.0083 -0.2971 C.2 1 noname -0.0026 9 C7 -1.0990 1.9315 1.8912 C.2 1 noname -0.0534 10 C8 -0.6484 3.1280 -0.7335 C.2 1 noname -0.0309 11 C9 3.7220 1.8578 0.2936 C.2 1 noname -0.0481 12 C10 4.4157 0.3786 -1.4748 C.2 1 noname -0.0481 13 C11 -1.8539 3.0557 1.4433 C.2 1 noname -0.0728 14 C12 -1.6278 3.6475 0.1675 C.2 1 noname -0.0584 15 C13 5.0317 2.3012 0.4365 C.2 1 noname -0.0581 16 C14 5.7253 0.8220 -1.3319 C.2 1 noname -0.0581 17 C15 6.0333 1.7832 -0.3763 C.2 1 noname -0.0610 18 H1 0.6486 -1.1443 0.0201 H 1 noname 0.0635 19 H2 1.9660 -0.2344 -1.7197 H 1 noname 0.0688 20 H3 0.2681 -0.2756 2.1922 H 1 noname 0.0344 21 H4 1.5859 0.8688 2.1073 H 1 noname 0.0344 22 H5 -1.2770 1.4993 2.7978 H 1 noname 0.0626 23 H6 -0.5124 3.5388 -1.6572 H 1 noname 0.0650 24 H7 2.7911 -1.9281 0.2585 H 1 noname 0.2105 25 H8 2.9870 2.2378 0.8900 H 1 noname 0.0626 26 H9 4.1897 -0.3268 -2.1760 H 1 noname 0.0626 27 H10 -2.5737 3.4457 2.0518 H 1 noname 0.0622 28 H11 -2.1777 4.4608 -0.1091 H 1 noname 0.0623 29 H12 5.2577 3.0065 1.1377 H 1 noname 0.0622 30 H13 6.4604 0.4419 -1.9283 H 1 noname 0.0622 31 H14 6.9943 2.1086 -0.2715 H 1 noname 0.0622 @BOND 1 1 4 1 2 1 8 1 3 3 2 1 4 2 24 1 5 3 4 1 6 3 5 1 7 3 18 1 8 4 7 1 9 4 19 1 10 5 6 1 11 5 20 1 12 5 21 1 13 6 8 1 14 6 9 2 15 7 11 2 16 7 12 1 17 8 10 2 18 9 13 1 19 9 22 1 20 10 14 1 21 10 23 1 22 11 15 1 23 11 25 1 24 12 16 2 25 12 26 1 26 13 14 2 27 13 27 1 28 14 28 1 29 15 17 2 30 15 29 1 31 16 17 1 32 16 30 1 33 17 31 1 @SUBSTRUCTURE 1 noname 1