@MOLECULE propyl 2,2-di(hydroxymethyl)propionate 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8418 0.0592 0.1361 O.3 1 UNL1111 -0.4663 2 O -1.4989 2.4339 0.2758 O.3 1 UNL1111 -0.5233 3 O -1.4708 -2.4357 0.3079 O.3 1 UNL1111 -0.5240 4 O -0.1365 -0.0431 -1.8725 O.2 1 UNL1111 -0.4850 5 C -1.5018 -0.0006 0.1692 C.3 1 UNL1111 -0.1056 6 C -1.5074 1.2630 1.0576 C.3 1 UNL1111 -0.0097 7 C -1.4889 -1.2539 1.0730 C.3 1 UNL1111 -0.0098 8 C -2.7200 -0.0224 -0.7449 C.3 1 UNL1111 -0.4294 9 C -0.2441 0.0022 -0.6767 C.2 1 UNL1111 0.5720 10 C 2.1294 0.0152 -0.4940 C.3 1 UNL1111 -0.0054 11 C 3.1066 -0.0172 0.6813 C.3 1 UNL1111 -0.2753 12 C 4.5369 0.0006 0.1530 C.3 1 UNL1111 -0.4360 13 H -2.4527 1.3545 1.6269 H 1 UNL1111 0.1527 14 H -0.6494 1.2776 1.7548 H 1 UNL1111 0.1297 15 H -2.4333 -1.3472 1.6441 H 1 UNL1111 0.1532 16 H -0.6279 -1.2517 1.7666 H 1 UNL1111 0.1293 17 H -3.6556 -0.0485 -0.1746 H 1 UNL1111 0.1536 18 H -2.7536 0.8680 -1.3900 H 1 UNL1111 0.1689 19 H -2.7125 -0.9056 -1.4018 H 1 UNL1111 0.1694 20 H 2.2422 0.9121 -1.1262 H 1 UNL1111 0.1352 21 H 2.1864 -0.8869 -1.1272 H 1 UNL1111 0.1356 22 H 2.9223 0.8463 1.3508 H 1 UNL1111 0.1510 23 H 2.9276 -0.9153 1.3038 H 1 UNL1111 0.1494 24 H -0.6733 2.4911 -0.2504 H 1 UNL1111 0.3136 25 H -0.6639 -2.4781 -0.2464 H 1 UNL1111 0.3136 26 H 4.7322 0.8849 -0.4683 H 1 UNL1111 0.1478 27 H 5.2666 0.0178 0.9704 H 1 UNL1111 0.1473 28 H 4.7531 -0.8868 -0.4548 H 1 UNL1111 0.1476 @BOND 1 1 9 1 2 1 10 1 3 2 6 1 4 2 24 1 5 3 7 1 6 3 25 1 7 4 9 2 8 5 6 1 9 5 7 1 10 5 8 1 11 5 9 1 12 6 13 1 13 6 14 1 14 7 15 1 15 7 16 1 16 8 17 1 17 8 18 1 18 8 19 1 19 10 11 1 20 10 20 1 21 10 21 1 22 11 12 1 23 11 22 1 24 11 23 1 25 12 26 1 26 12 27 1 27 12 28 1