@MOLECULE 73415781 24 23 1 SMALL USER_CHARGES @ATOM 1 O1 -1.6683 -0.8978 -4.9564 O.3 1 noname -0.3869 2 O2 -3.4367 -0.7653 -2.8367 O.3 1 noname -0.3869 3 O3 0.6058 -2.7851 -4.8945 O.3 1 noname -0.3798 4 O4 -4.0441 -2.8478 -1.1372 O.3 1 noname -0.3798 5 O5 -1.5985 -3.4293 -6.6259 O.3 1 noname -0.2099 6 O6 -1.8028 -4.8883 -0.7412 O.3 1 noname -0.2099 7 O7 -1.7556 -5.0983 -5.1219 O.2 1 noname -0.2443 8 O8 -2.7088 -5.0642 -2.7391 O.2 1 noname -0.2443 9 C1 -1.4771 -1.7945 -3.8511 C.3 1 noname 0.1185 10 C2 -2.8450 -2.0432 -3.1020 C.3 1 noname 0.1185 11 C3 -0.6864 -3.0803 -4.3193 C.3 1 noname 0.1678 12 C4 -2.7776 -2.8592 -1.7669 C.3 1 noname 0.1678 13 C5 -1.3855 -3.9355 -5.3926 C.2 1 noname 0.1513 14 C6 -2.4145 -4.3000 -1.7986 C.2 1 noname 0.1513 15 H1 -0.8381 -1.2294 -3.1489 H 1 noname 0.0662 16 H2 -3.5582 -2.5223 -3.7763 H 1 noname 0.0662 17 H3 -0.4997 -3.6995 -3.4569 H 1 noname 0.0739 18 H4 -2.0937 -2.3363 -1.1081 H 1 noname 0.0739 19 H5 -0.8124 -0.7528 -5.4112 H 1 noname 0.2107 20 H6 -2.8326 -0.2359 -2.2753 H 1 noname 0.2107 21 H7 1.1611 -2.3247 -4.2313 H 1 noname 0.2113 22 H8 -4.7086 -3.2532 -1.7326 H 1 noname 0.2113 23 H9 -2.3706 -3.7266 -7.1510 H 1 noname 0.2214 24 H10 -1.2382 -5.6774 -0.8785 H 1 noname 0.2214 @BOND 1 9 1 1 2 1 19 1 3 10 2 1 4 2 20 1 5 11 3 1 6 3 21 1 7 12 4 1 8 4 22 1 9 5 13 1 10 5 23 1 11 6 14 1 12 6 24 1 13 7 13 2 14 8 14 2 15 9 10 1 16 9 11 1 17 9 15 1 18 10 12 1 19 10 16 1 20 11 13 1 21 11 17 1 22 12 14 1 23 12 18 1 @SUBSTRUCTURE 1 noname 1