@MOLECULE neopentyl glycol 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0465 0.9318 -0.0043 O.3 1 UNL1111111111 -0.5460 2 O 1.9764 0.8916 -0.0068 O.3 1 UNL1111111111 -0.5503 3 C 0.0022 -0.4065 0.0138 C.3 1 UNL1111111111 0.0331 4 C -0.6988 0.8974 -0.4231 C.3 1 UNL1111111111 -0.0106 5 C 1.4675 -0.3502 -0.4711 C.3 1 UNL1111111111 -0.0271 6 C -0.0382 -0.5209 1.5380 C.3 1 UNL1111111111 -0.4518 7 C -0.6717 -1.6233 -0.6328 C.3 1 UNL1111111111 -0.4714 8 H -0.2607 1.7810 0.0838 H 1 UNL1111111111 0.1625 9 H -0.6583 1.0433 -1.5151 H 1 UNL1111111111 0.1113 10 H 2.0644 -1.1753 -0.0484 H 1 UNL1111111111 0.1156 11 H 1.5382 -0.3625 -1.5726 H 1 UNL1111111111 0.1140 12 H -1.0586 -0.3742 1.9167 H 1 UNL1111111111 0.1595 13 H 0.3180 -1.4928 1.8892 H 1 UNL1111111111 0.1376 14 H 0.5885 0.2535 2.0028 H 1 UNL1111111111 0.1629 15 H -0.1181 -2.5459 -0.4229 H 1 UNL1111111111 0.1496 16 H -1.6845 -1.7709 -0.2394 H 1 UNL1111111111 0.1506 17 H -0.7456 -1.5208 -1.7204 H 1 UNL1111111111 0.1450 18 H -2.5383 0.1641 -0.3522 H 1 UNL1111111111 0.3051 19 H 2.9416 0.9318 -0.1399 H 1 UNL1111111111 0.3105 @BOND 1 1 4 1 2 1 18 1 3 2 5 1 4 2 19 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 7 1 9 4 8 1 10 4 9 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