@MOLECULE glycero-gulo-heptose 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6419 -1.9679 0.1590 O.3 1 UNL1111111111 -0.5496 2 O -0.6740 0.9544 0.9254 O.3 1 UNL1111111111 -0.5841 3 O 2.1302 -1.9069 -0.1739 O.3 1 UNL1111111111 -0.5792 4 O -2.9292 1.0806 -1.3826 O.3 1 UNL1111111111 -0.5622 5 O 1.8428 1.5952 0.2202 O.3 1 UNL1111111111 -0.5734 6 O -4.4354 -0.2762 0.6519 O.3 1 UNL1111111111 -0.5436 7 O 4.3515 0.8136 0.4651 O.2 1 UNL1111111111 -0.4315 8 C -0.0202 -0.8819 -0.4873 C.3 1 UNL1111111111 0.0429 9 C -0.8550 0.4069 -0.3624 C.3 1 UNL1111111111 0.0419 10 C 1.3871 -0.7441 0.1349 C.3 1 UNL1111111111 0.0748 11 C -2.3640 0.1272 -0.5091 C.3 1 UNL1111111111 0.0784 12 C 2.2162 0.4146 -0.4575 C.3 1 UNL1111111111 0.0039 13 C -3.1094 0.1716 0.8324 C.3 1 UNL1111111111 -0.0293 14 C 3.7026 0.1167 -0.2745 C.2 1 UNL1111111111 0.3254 15 H 0.0380 -1.2297 -1.5462 H 1 UNL1111111111 0.1627 16 H -0.5283 1.1542 -1.1253 H 1 UNL1111111111 0.1491 17 H 1.3258 -0.6594 1.2457 H 1 UNL1111111111 0.1528 18 H -2.5603 -0.8321 -1.0492 H 1 UNL1111111111 0.1747 19 H 1.9755 0.6133 -1.5263 H 1 UNL1111111111 0.1655 20 H -3.1308 1.1889 1.2647 H 1 UNL1111111111 0.1366 21 H -2.6913 -0.5275 1.5782 H 1 UNL1111111111 0.1471 22 H -0.9619 -1.7050 1.0526 H 1 UNL1111111111 0.3330 23 H 0.2080 1.4007 0.9626 H 1 UNL1111111111 0.3543 24 H 1.5662 -2.7075 -0.0497 H 1 UNL1111111111 0.3542 25 H -2.8679 1.9857 -1.0132 H 1 UNL1111111111 0.3220 26 H 4.1281 -0.7284 -0.8248 H 1 UNL1111111111 0.1489 27 H 2.5673 1.8906 0.8325 H 1 UNL1111111111 0.3605 28 H -4.8266 0.1447 -0.1447 H 1 UNL1111111111 0.3242 @BOND 1 1 8 1 2 1 22 1 3 2 9 1 4 2 23 1 5 3 10 1 6 3 24 1 7 4 11 1 8 4 25 1 9 5 12 1 10 5 27 1 11 6 13 1 12 6 28 1 13 7 14 2 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 14 1 24 12 19 1 25 13 20 1 26 13 21 1 27 14 26 1