@MOLECULE 2,3-pentanediol 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2646 -1.1454 0.8431 O.3 1 UNL1111111111 -0.5500 2 O 1.2011 1.1587 0.6837 O.3 1 UNL1111111111 -0.5793 3 C -0.2753 -0.3559 -0.3234 C.3 1 UNL1111111111 0.1306 4 C 1.0989 0.3466 -0.4779 C.3 1 UNL1111111111 0.1112 5 C -1.4069 0.6785 -0.2598 C.3 1 UNL1111111111 -0.3070 6 C 2.2356 -0.6643 -0.5452 C.3 1 UNL1111111111 -0.5026 7 C -2.7635 -0.0172 -0.2032 C.3 1 UNL1111111111 -0.4306 8 H -0.4362 -1.1045 -1.1292 H 1 UNL1111111111 0.1400 9 H 1.1053 1.0366 -1.3498 H 1 UNL1111111111 0.1211 10 H -1.3551 1.3592 -1.1284 H 1 UNL1111111111 0.1399 11 H -1.2665 1.3230 0.6322 H 1 UNL1111111111 0.1592 12 H 3.2173 -0.1804 -0.5455 H 1 UNL1111111111 0.1469 13 H 2.1963 -1.3534 0.3126 H 1 UNL1111111111 0.1751 14 H 2.1710 -1.2814 -1.4490 H 1 UNL1111111111 0.1593 15 H -3.5738 0.6989 -0.0316 H 1 UNL1111111111 0.1391 16 H -2.9827 -0.5546 -1.1319 H 1 UNL1111111111 0.1388 17 H -2.7905 -0.7541 0.6123 H 1 UNL1111111111 0.1586 18 H -0.0400 -0.5843 1.6183 H 1 UNL1111111111 0.3278 19 H 2.1317 1.3299 0.9150 H 1 UNL1111111111 0.3218 @BOND 1 1 3 1 2 1 18 1 3 2 4 1 4 2 19 1 5 3 4 1 6 3 5 1 7 3 8 1 8 4 6 1 9 4 9 1 10 5 7 1 11 5 10 1 12 5 11 1 13 6 12 1 14 6 13 1 15 6 14 1 16 7 15 1 17 7 16 1 18 7 17 1