@MOLECULE DB06973 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -1.7099 6.9714 2.0978 O.3 1 noname -0.2866 2 C1 -0.7942 6.1010 1.6222 C.2 1 noname -0.0047 3 C2 0.4048 6.5706 1.0986 C.2 1 noname -0.0319 4 C3 -1.0502 4.7352 1.6561 C.2 1 noname -0.0319 5 C4 1.3477 5.6743 0.6089 C.2 1 noname -0.0477 6 C5 -0.1074 3.8390 1.1663 C.2 1 noname -0.0477 7 C6 1.0916 4.3085 0.6428 C.2 1 noname -0.0637 8 C7 2.0820 3.3672 0.1284 C.3 1 noname 0.0397 9 C8 1.8369 3.1303 -1.2913 C.2 1 noname -0.0637 10 C9 1.9743 2.0457 0.8920 C.3 1 noname -0.0517 11 C10 3.4843 3.9504 0.3135 C.3 1 noname -0.0517 12 C11 2.6578 2.2633 -2.0031 C.2 1 noname -0.0477 13 C12 0.7827 3.7717 -1.9311 C.2 1 noname -0.0477 14 C13 2.4244 2.0378 -3.3547 C.2 1 noname -0.0319 15 C14 0.5494 3.5462 -3.2827 C.2 1 noname -0.0319 16 C15 1.3702 2.6792 -3.9945 C.2 1 noname -0.0047 17 O2 1.1436 2.4602 -5.3072 O.3 1 noname -0.2866 18 H1 -1.6959 6.9581 3.0576 H 1 noname 0.2181 19 H2 0.6056 7.6416 1.0721 H 1 noname 0.0650 20 H3 -1.9904 4.3670 2.0666 H 1 noname 0.0650 21 H4 2.2879 6.0425 0.1983 H 1 noname 0.0626 22 H5 -0.3082 2.7680 1.1929 H 1 noname 0.0626 23 H6 1.9904 2.2431 1.9638 H 1 noname 0.0243 24 H7 1.0409 1.5486 0.6280 H 1 noname 0.0243 25 H8 2.8150 1.4040 0.6280 H 1 noname 0.0243 26 H9 3.7025 4.0411 1.3775 H 1 noname 0.0243 27 H10 4.2165 3.2910 -0.1526 H 1 noname 0.0243 28 H11 3.5330 4.9345 -0.1526 H 1 noname 0.0243 29 H12 3.4844 1.7603 -1.5014 H 1 noname 0.0626 30 H13 0.1390 4.4515 -1.3729 H 1 noname 0.0626 31 H14 3.0682 1.3580 -3.9128 H 1 noname 0.0650 32 H15 -0.2773 4.0492 -3.7844 H 1 noname 0.0650 33 H16 1.1149 1.5152 -5.4736 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 8 11 1 12 9 12 2 13 9 13 1 14 12 14 1 15 13 15 2 16 14 16 2 17 15 16 1 18 16 17 1 19 1 18 1 20 3 19 1 21 4 20 1 22 5 21 1 23 6 22 1 24 10 23 1 25 10 24 1 26 10 25 1 27 11 26 1 28 11 27 1 29 11 28 1 30 12 29 1 31 13 30 1 32 14 31 1 33 15 32 1 34 17 33 1 @SUBSTRUCTURE 1 noname 1