@MOLECULE allyl alpha-l-galactopyranoside 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.0124 -0.4930 -1.3962 O.3 1 UNL11111111 -0.4435 2 O 2.2265 2.0602 0.8571 O.3 1 UNL11111111 -0.5648 3 O 2.0674 -0.7295 1.5316 O.3 1 UNL11111111 -0.5744 4 O -1.5842 0.6509 -0.1332 O.3 1 UNL11111111 -0.4725 5 O -0.2710 2.9979 -0.3606 O.3 1 UNL11111111 -0.5364 6 O 2.4350 -2.7285 -0.2475 O.3 1 UNL11111111 -0.5551 7 C 1.1010 1.2538 0.5723 C.3 1 UNL11111111 0.0488 8 C 1.6883 -0.1417 0.2973 C.3 1 UNL11111111 0.0859 9 C 0.3716 1.7899 -0.6694 C.3 1 UNL11111111 0.0350 10 C 0.6042 -1.0866 -0.2602 C.3 1 UNL11111111 0.0379 11 C -0.6427 0.7360 -1.1715 C.3 1 UNL11111111 0.2704 12 C 1.1967 -2.3934 -0.8242 C.3 1 UNL11111111 -0.0136 13 C -2.7020 -0.1946 -0.4046 C.3 1 UNL11111111 -0.0319 14 C -3.1931 -0.6393 0.9348 C.2 1 UNL11111111 -0.1325 15 C -4.3012 -1.3614 1.0867 C.2 1 UNL11111111 -0.3301 16 H 0.4419 1.2503 1.4700 H 1 UNL11111111 0.1519 17 H 2.5852 -0.0857 -0.3606 H 1 UNL11111111 0.1608 18 H 1.0870 2.0758 -1.4760 H 1 UNL11111111 0.1740 19 H -0.1715 -1.2829 0.5134 H 1 UNL11111111 0.1530 20 H -1.1113 0.9684 -2.1495 H 1 UNL11111111 0.1458 21 H 1.4180 -2.3009 -1.9071 H 1 UNL11111111 0.1545 22 H 0.5134 -3.2464 -0.6615 H 1 UNL11111111 0.1265 23 H 1.9668 3.0086 0.8544 H 1 UNL11111111 0.3389 24 H 2.7155 -0.1459 1.9884 H 1 UNL11111111 0.3469 25 H -1.0692 2.8353 0.1943 H 1 UNL11111111 0.3342 26 H -3.4455 0.4186 -0.9494 H 1 UNL11111111 0.1354 27 H -2.3961 -1.0519 -1.0368 H 1 UNL11111111 0.1487 28 H 2.5055 -2.3727 0.6674 H 1 UNL11111111 0.3433 29 H -2.5708 -0.3259 1.7757 H 1 UNL11111111 0.1654 30 H -4.6659 -1.6920 2.0476 H 1 UNL11111111 0.1522 31 H -4.9335 -1.6809 0.2735 H 1 UNL11111111 0.1454 @BOND 1 20 11 1 2 21 12 1 3 18 9 1 4 1 11 1 5 1 10 1 6 11 9 1 7 11 4 1 8 27 13 1 9 26 13 1 10 12 22 1 11 12 10 1 12 12 6 1 13 9 5 1 14 9 7 1 15 13 4 1 16 13 14 1 17 17 8 1 18 5 25 1 19 10 8 1 20 10 19 1 21 6 28 1 22 31 15 1 23 8 7 1 24 8 3 1 25 7 2 1 26 7 16 1 27 23 2 1 28 14 15 2 29 14 29 1 30 15 30 1 31 3 24 1