@MOLECULE (s)-(+)-pantolactone 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9935 -1.3731 0.3328 O.3 1 UNL1111111111 -0.3771 2 O -0.1614 1.9078 0.1766 O.3 1 UNL1111111111 -0.5102 3 O -2.5227 0.1613 -0.1875 O.2 1 UNL1111111111 -0.4373 4 C 1.0701 -0.1448 -0.0475 C.3 1 UNL1111111111 0.0458 5 C -0.1487 0.6892 -0.5217 C.3 1 UNL1111111111 0.0144 6 C 0.4326 -1.4987 0.3675 C.3 1 UNL1111111111 -0.0725 7 C 2.0627 -0.3452 -1.1904 C.3 1 UNL1111111111 -0.4660 8 C 1.7605 0.5135 1.1426 C.3 1 UNL1111111111 -0.4451 9 C -1.3675 -0.1465 -0.1301 C.2 1 UNL1111111111 0.5332 10 H -0.1369 0.9004 -1.6123 H 1 UNL1111111111 0.1532 11 H 0.6709 -2.3254 -0.3205 H 1 UNL1111111111 0.1442 12 H 0.6673 -1.7934 1.4032 H 1 UNL1111111111 0.1514 13 H 1.6050 -0.8236 -2.0636 H 1 UNL1111111111 0.1499 14 H 2.4819 0.6141 -1.5228 H 1 UNL1111111111 0.1602 15 H 2.9096 -0.9697 -0.8802 H 1 UNL1111111111 0.1543 16 H 2.6004 -0.0838 1.5100 H 1 UNL1111111111 0.1435 17 H 2.1482 1.5075 0.8754 H 1 UNL1111111111 0.1663 18 H 1.0630 0.6758 1.9765 H 1 UNL1111111111 0.1644 19 H -1.0282 2.3626 0.0478 H 1 UNL1111111111 0.3275 @BOND 1 1 6 1 2 1 9 1 3 2 5 1 4 2 19 1 5 3 9 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 8 1 10 5 9 1 11 5 10 1 12 6 11 1 13 6 12 1 14 7 13 1 15 7 14 1 16 7 15 1 17 8 16 1 18 8 17 1 19 8 18 1