@MOLECULE DB07290 42 43 1 SMALL USER_CHARGES @ATOM 1 S1 -0.9811 -1.7942 -0.0600 S 1 noname -0.1175 2 O1 0.1158 -2.8970 0.3308 O.2 1 noname -0.1981 3 O2 -2.4247 -2.4805 -0.2404 O.2 1 noname -0.1981 4 N1 -1.1549 -0.6344 1.2568 N.3 1 noname 0.0069 5 C1 -0.5243 -0.9684 -1.5493 C.2 1 noname 0.0134 6 C2 -1.1276 -1.2891 2.5870 C.3 1 noname 0.1032 7 C3 0.3150 0.1848 -1.4915 C.2 1 noname 0.0218 8 C4 -1.0212 -1.5160 -2.7750 C.2 1 noname 0.0185 9 C5 -2.3155 -2.2957 2.7607 C.2 1 noname 0.0920 10 C6 -1.0847 -0.2219 3.7566 C.3 1 noname -0.0117 11 C7 0.6774 0.8272 -2.7233 C.2 1 noname 0.0173 12 C8 -0.6612 -0.8764 -4.0046 C.2 1 noname 0.0132 13 O3 -2.0836 -3.5045 2.9790 O.2 1 noname -0.2759 14 N2 -3.5801 -1.8609 2.6753 N.3 1 noname 0.0170 15 C9 -0.1331 1.0304 3.5073 C.3 1 noname -0.0246 16 C10 -0.8330 -0.9337 5.1523 C.3 1 noname -0.0246 17 C11 0.1799 0.2796 -3.9518 C.2 1 noname 0.0402 18 C12 1.5327 2.0105 -2.7251 C.3 1 noname 0.0164 19 O4 -4.5658 -2.6962 2.8194 O.3 1 noname -0.3185 20 C13 0.7519 1.5039 4.7035 C.3 1 noname 0.0470 21 C14 0.6376 -0.8592 5.6458 C.3 1 noname 0.0470 22 F1 0.5082 0.8604 -5.0687 F 1 noname -0.1627 23 O5 1.2076 0.4808 5.6380 O.3 1 noname -0.3812 24 H1 -1.2662 0.3695 1.2494 H 1 noname 0.1451 25 H2 -0.1972 -1.8567 2.5766 H 1 noname 0.0579 26 H3 0.6693 0.5644 -0.5331 H 1 noname 0.0643 27 H4 -1.6590 -2.3999 -2.7721 H 1 noname 0.0640 28 H5 -2.0772 0.2284 3.7765 H 1 noname 0.0326 29 H6 -1.0194 -1.2609 -4.9595 H 1 noname 0.0653 30 H7 -3.7935 -0.8894 2.4997 H 1 noname 0.1641 31 H8 0.5789 0.7086 2.7473 H 1 noname 0.0293 32 H9 -0.8007 1.8687 3.3086 H 1 noname 0.0293 33 H10 -1.4129 -0.3754 5.8873 H 1 noname 0.0293 34 H11 -1.0309 -1.9937 4.9931 H 1 noname 0.0293 35 H12 1.7463 2.3060 -1.6979 H 1 noname 0.0280 36 H13 2.4664 1.7831 -3.2394 H 1 noname 0.0280 37 H14 1.0238 2.8258 -3.2394 H 1 noname 0.0280 38 H15 -4.7319 -2.8369 3.7544 H 1 noname 0.2380 39 H16 1.6756 1.8894 4.2719 H 1 noname 0.0566 40 H17 0.1244 2.1518 5.3156 H 1 noname 0.0566 41 H18 0.6349 -1.1475 6.6970 H 1 noname 0.0566 42 H19 1.2417 -1.4159 4.9294 H 1 noname 0.0566 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 6 4 1 6 5 7 2 7 5 8 1 8 6 9 1 9 6 10 1 10 7 11 1 11 8 12 2 12 9 13 2 13 9 14 1 14 10 15 1 15 10 16 1 16 11 17 2 17 11 18 1 18 12 17 1 19 14 19 1 20 15 20 1 21 16 21 1 22 17 22 1 23 20 23 1 24 21 23 1 25 4 24 1 26 6 25 1 27 7 26 1 28 8 27 1 29 10 28 1 30 12 29 1 31 14 30 1 32 15 31 1 33 15 32 1 34 16 33 1 35 16 34 1 36 18 35 1 37 18 36 1 38 18 37 1 39 19 38 1 40 20 39 1 41 20 40 1 42 21 41 1 43 21 42 1 @SUBSTRUCTURE 1 noname 1