@MOLECULE sedoheptulose 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2029 0.2545 1.7300 O.3 1 UNL1111111111 -0.5697 2 O 0.0553 0.2167 -1.6062 O.3 1 UNL1111111111 -0.5430 3 O -3.5184 0.9371 0.2869 O.3 1 UNL1111111111 -0.5777 4 O 1.2870 2.0901 -0.1189 O.3 1 UNL1111111111 -0.5460 5 O -4.0581 -1.5711 -0.4944 O.3 1 UNL1111111111 -0.5399 6 O 3.5218 0.6942 -0.4742 O.2 1 UNL1111111111 -0.4444 7 O 4.0662 -1.8089 0.3898 O.3 1 UNL1111111111 -0.5103 8 C -1.2035 0.7077 0.3898 C.3 1 UNL1111111111 0.0766 9 C 0.0727 0.0788 -0.2118 C.3 1 UNL1111111111 0.1061 10 C -2.4667 0.2203 -0.3420 C.3 1 UNL1111111111 0.0586 11 C 1.3159 0.7713 0.3855 C.3 1 UNL1111111111 -0.0152 12 C -2.7194 -1.2853 -0.1477 C.3 1 UNL1111111111 -0.0469 13 C 2.6064 0.0675 0.0031 C.2 1 UNL1111111111 0.3797 14 C 2.7233 -1.4186 0.2463 C.3 1 UNL1111111111 -0.1078 15 H -1.1599 1.8222 0.3935 H 1 UNL1111111111 0.1590 16 H 0.0858 -1.0226 -0.0479 H 1 UNL1111111111 0.1557 17 H -2.4330 0.4874 -1.4216 H 1 UNL1111111111 0.1465 18 H 1.2292 0.8537 1.5003 H 1 UNL1111111111 0.1846 19 H -2.5138 -1.6165 0.8844 H 1 UNL1111111111 0.1359 20 H -2.1306 -1.8929 -0.8614 H 1 UNL1111111111 0.1523 21 H -2.0304 0.5493 2.1729 H 1 UNL1111111111 0.3440 22 H 0.2508 1.1533 -1.8567 H 1 UNL1111111111 0.3426 23 H -4.3195 0.9216 -0.2761 H 1 UNL1111111111 0.3328 24 H 2.1920 2.3722 -0.4040 H 1 UNL1111111111 0.3477 25 H 2.2782 -1.9880 -0.5988 H 1 UNL1111111111 0.1609 26 H 2.2520 -1.7437 1.1960 H 1 UNL1111111111 0.1699 27 H -4.6600 -1.2926 0.2270 H 1 UNL1111111111 0.3154 28 H 4.6454 -1.2735 -0.2057 H 1 UNL1111111111 0.3327 @BOND 1 1 8 1 2 1 21 1 3 2 9 1 4 2 22 1 5 3 10 1 6 3 23 1 7 4 11 1 8 4 24 1 9 5 12 1 10 5 27 1 11 6 13 2 12 7 14 1 13 7 28 1 14 8 9 1 15 8 10 1 16 8 15 1 17 9 11 1 18 9 16 1 19 10 12 1 20 10 17 1 21 11 13 1 22 11 18 1 23 12 19 1 24 12 20 1 25 13 14 1 26 14 25 1 27 14 26 1