@MOLECULE DB02429 34 35 1 SMALL USER_CHARGES @ATOM 1 S1 1.0788 -2.1662 -0.4852 S 1 noname -0.1194 2 O1 1.0235 -2.6709 1.0215 O.2 1 noname -0.1995 3 O2 2.3104 -2.8454 -1.2268 O.2 1 noname -0.1995 4 N1 -0.3912 -2.5981 -1.2931 N.3 1 noname -0.0105 5 C1 1.2672 -0.4467 -0.5109 C.2 1 noname 0.0329 6 C2 1.8439 0.2055 0.5727 C.2 1 noname 0.0264 7 C3 0.8418 0.2827 -1.6151 C.2 1 noname 0.0264 8 C4 1.9952 1.5871 0.5521 C.2 1 noname 0.0061 9 C5 0.9932 1.6643 -1.6357 C.2 1 noname 0.0061 10 C6 1.5699 2.3165 -0.5521 C.2 1 noname 0.0163 11 C7 1.7212 3.6981 -0.5727 C.2 1 noname 0.0171 12 O3 1.8877 4.2924 -1.6597 O.2 1 noname -0.2956 13 N2 1.6887 4.3928 0.5727 N.3 1 noname -0.0745 14 C8 1.8422 5.7943 0.5518 C.3 1 noname 0.0281 15 C9 1.7701 6.3121 1.9150 C.2 1 noname -0.0511 16 C10 1.8958 7.6767 2.1476 C.2 1 noname -0.0366 17 C11 1.5756 5.4405 2.9801 C.2 1 noname -0.0366 18 C12 1.8271 8.1698 3.4454 C.2 1 noname -0.0062 19 C13 1.5069 5.9336 4.2780 C.2 1 noname -0.0062 20 C14 1.6327 7.2982 4.5106 C.2 1 noname 0.0231 21 F1 1.5683 7.7596 5.7253 F 1 noname -0.1655 22 H1 -1.0663 -1.8848 -1.5286 H 1 noname 0.1404 23 H2 -0.5732 -3.5632 -1.5286 H 1 noname 0.1404 24 H3 2.1774 -0.3664 1.4386 H 1 noname 0.0639 25 H4 0.3896 -0.2288 -2.4648 H 1 noname 0.0639 26 H5 2.4474 2.0986 1.4018 H 1 noname 0.0631 27 H6 0.6596 2.2362 -2.5015 H 1 noname 0.0631 28 H7 1.5521 3.8742 1.4285 H 1 noname 0.1317 29 H8 2.8508 5.9837 0.1846 H 1 noname 0.0483 30 H9 0.9820 6.1858 0.0088 H 1 noname 0.0483 31 H10 2.0482 8.3602 1.3123 H 1 noname 0.0627 32 H11 1.4771 4.3704 2.7977 H 1 noname 0.0627 33 H12 1.9256 9.2399 3.6278 H 1 noname 0.0653 34 H13 1.3545 5.2501 5.1133 H 1 noname 0.0653 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 9 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 14 15 1 16 15 16 2 17 15 17 1 18 16 18 1 19 17 19 2 20 18 20 2 21 19 20 1 22 20 21 1 23 4 22 1 24 4 23 1 25 6 24 1 26 7 25 1 27 8 26 1 28 9 27 1 29 13 28 1 30 14 29 1 31 14 30 1 32 16 31 1 33 17 32 1 34 18 33 1 35 19 34 1 @SUBSTRUCTURE 1 noname 1