@MOLECULE d-mannonic acid 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.2659 1.9652 -0.5969 O.3 1 UNL11111111 -0.5733 2 O 1.4498 1.8282 0.0255 O.3 1 UNL11111111 -0.5579 3 O -2.5474 -0.2854 -1.3546 O.3 1 UNL11111111 -0.5614 4 O 2.1618 -0.1256 1.8721 O.3 1 UNL11111111 -0.5033 5 O -3.4082 -1.1285 1.0791 O.3 1 UNL11111111 -0.5408 6 O 1.2758 -1.4075 -1.2990 O.3 1 UNL11111111 -0.5935 7 O 3.2849 -0.7082 -0.6073 O.2 1 UNL11111111 -0.4545 8 C -0.5907 0.7202 -0.5948 C.3 1 UNL11111111 0.0670 9 C 0.4846 0.9081 0.4923 C.3 1 UNL11111111 0.0756 10 C -1.5952 -0.4136 -0.3123 C.3 1 UNL11111111 0.0464 11 C 1.2967 -0.3660 0.8011 C.3 1 UNL11111111 0.0533 12 C -2.2972 -0.2571 1.0458 C.3 1 UNL11111111 -0.0650 13 C 2.1101 -0.8049 -0.4059 C.2 1 UNL11111111 0.6020 14 H -0.1291 0.5801 -1.6029 H 1 UNL11111111 0.1638 15 H 0.0440 1.3240 1.4304 H 1 UNL11111111 0.1561 16 H -1.1219 -1.4146 -0.4330 H 1 UNL11111111 0.1457 17 H 0.6499 -1.1992 1.1693 H 1 UNL11111111 0.1731 18 H -2.7612 0.7453 1.1535 H 1 UNL11111111 0.1690 19 H -1.6321 -0.4449 1.9032 H 1 UNL11111111 0.1281 20 H -2.0623 1.8998 -1.1759 H 1 UNL11111111 0.3499 21 H 1.0005 2.6379 -0.3150 H 1 UNL11111111 0.3490 22 H -3.4284 -0.5984 -1.0408 H 1 UNL11111111 0.3438 23 H 2.8006 0.5990 1.6398 H 1 UNL11111111 0.3471 24 H -3.1220 -2.0617 1.1527 H 1 UNL11111111 0.3155 25 H 1.7225 -1.7200 -2.1223 H 1 UNL11111111 0.3644 @BOND 1 25 6 1 2 14 8 1 3 3 22 1 4 3 10 1 5 6 13 1 6 20 1 1 7 7 13 2 8 1 8 1 9 8 10 1 10 8 9 1 11 16 10 1 12 13 11 1 13 21 2 1 14 10 12 1 15 2 9 1 16 9 11 1 17 9 15 1 18 11 17 1 19 11 4 1 20 12 5 1 21 12 18 1 22 12 19 1 23 5 24 1 24 23 4 1