@MOLECULE (3s)-3-heptanol 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 H 4.8775 0.2515 0.0464 H 1 UNL1111111111 0.1386 2 C 3.9465 -0.1706 -0.3465 C.3 1 UNL1111111111 -0.4395 3 H 3.9553 -0.0377 -1.4337 H 1 UNL1111111111 0.1407 4 H 3.9628 -1.2485 -0.1478 H 1 UNL1111111111 0.1446 5 C 2.7241 0.4926 0.2889 C.3 1 UNL1111111111 -0.2504 6 H 2.7580 0.3714 1.3883 H 1 UNL1111111111 0.1349 7 H 2.7436 1.5824 0.1028 H 1 UNL1111111111 0.1302 8 C 1.4287 -0.1144 -0.2644 C.3 1 UNL1111111111 -0.2637 9 H 1.4042 -0.0189 -1.3651 H 1 UNL1111111111 0.1322 10 H 1.3964 -1.2030 -0.0546 H 1 UNL1111111111 0.1560 11 C 0.2003 0.5593 0.3569 C.3 1 UNL1111111111 -0.3077 12 H 0.2263 0.4443 1.4590 H 1 UNL1111111111 0.1570 13 H 0.2083 1.6438 0.1515 H 1 UNL1111111111 0.1385 14 C -1.0883 -0.0759 -0.1854 C.3 1 UNL1111111111 0.1604 15 H -1.0521 -0.1962 -1.2903 H 1 UNL1111111111 0.1143 16 O -1.1032 -1.3773 0.3837 O.3 1 UNL1111111111 -0.5673 17 H -1.9559 -1.8184 0.2172 H 1 UNL1111111111 0.3113 18 C -2.3362 0.7080 0.2528 C.3 1 UNL1111111111 -0.3242 19 H -2.4703 0.5996 1.3473 H 1 UNL1111111111 0.1548 20 H -2.1846 1.7889 0.0733 H 1 UNL1111111111 0.1459 21 C -3.5835 0.2277 -0.4846 C.3 1 UNL1111111111 -0.4358 22 H -3.4765 0.3320 -1.5709 H 1 UNL1111111111 0.1446 23 H -3.8063 -0.8234 -0.2710 H 1 UNL1111111111 0.1385 24 H -4.4655 0.8090 -0.1883 H 1 UNL1111111111 0.1462 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 14 16 1 16 14 18 1 17 16 17 1 18 18 19 1 19 18 20 1 20 18 21 1 21 21 22 1 22 21 23 1 23 21 24 1