@MOLECULE 2-acetamido-2-deoxy-3-o-alpha-l-idopyranuronosyl-d-galactose 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1734 0.2684 0.8244 O.3 1 UNL1111111111 -0.4591 2 O 1.1452 1.1947 -0.8352 O.3 1 UNL1111111111 -0.3898 3 O 1.8820 2.9438 1.6930 O.3 1 UNL1111111111 -0.5545 4 O 2.7486 -0.4248 1.9374 O.3 1 UNL1111111111 -0.5562 5 O 3.7967 1.9906 -0.5389 O.3 1 UNL1111111111 -0.5206 6 O -2.1933 -2.3027 -0.5816 O.3 1 UNL1111111111 -0.5663 7 O 0.5046 -2.6254 -0.6526 O.3 1 UNL1111111111 -0.5640 8 O 3.5738 -0.7762 -2.4485 O.3 1 UNL1111111111 -0.5742 9 O 1.9391 0.4764 -3.3101 O.2 1 UNL1111111111 -0.4643 10 O 0.9087 -4.3959 1.5297 O.3 1 UNL1111111111 -0.5403 11 O -1.8144 2.1063 1.9215 O.2 1 UNL1111111111 -0.4529 12 O -4.6238 2.1179 -0.7071 O.2 1 UNL1111111111 -0.5248 13 N -3.6060 0.1273 -0.4231 N.am 1 UNL1111111111 -0.6369 14 C 1.5751 1.5673 1.5982 C.3 1 UNL1111111111 0.0641 15 C 2.9403 0.8764 1.4146 C.3 1 UNL1111111111 0.0736 16 C 0.5825 1.3941 0.4249 C.3 1 UNL1111111111 0.2751 17 C 3.3719 0.7454 -0.0630 C.3 1 UNL1111111111 0.0797 18 C -1.1555 -0.1782 -0.0830 C.3 1 UNL1111111111 0.0592 19 C 2.1760 0.2205 -0.8740 C.3 1 UNL1111111111 -0.0256 20 C -1.4191 -1.6321 0.3899 C.3 1 UNL1111111111 0.0788 21 CA -2.3794 0.7730 0.0311 C.3 1 UNL1111111111 -0.0799 22 C -0.0942 -2.3899 0.6054 C.3 1 UNL1111111111 0.0484 23 C 2.4981 0.0535 -2.3390 C.2 1 UNL1111111111 0.6324 24 C -0.3151 -3.7178 1.3341 C.3 1 UNL1111111111 -0.0603 25 C -2.5312 1.2432 1.4838 C.2 1 UNL1111111111 0.3658 26 C -4.6777 0.9124 -0.8242 C.2 1 UNL1111111111 0.6109 27 C -5.8608 0.1652 -1.3642 C.3 1 UNL1111111111 -0.5270 28 H 1.1016 1.2152 2.5501 H 1 UNL1111111111 0.1698 29 H 3.7171 1.4232 1.9999 H 1 UNL1111111111 0.1564 30 H -0.0712 2.2823 0.2520 H 1 UNL1111111111 0.1661 31 H 4.2673 0.0939 -0.1870 H 1 UNL1111111111 0.1690 32 H -0.7623 -0.1766 -1.1274 H 1 UNL1111111111 0.1662 33 H 1.8043 -0.7522 -0.4553 H 1 UNL1111111111 0.1973 34 H -2.0605 -1.6633 1.2979 H 1 UNL1111111111 0.1569 35 HA -2.1875 1.6914 -0.6025 H 1 UNL1111111111 0.1945 36 H 0.6688 -1.7557 1.1341 H 1 UNL1111111111 0.1989 37 H 1.0960 3.4457 2.0059 H 1 UNL1111111111 0.3371 38 H 3.6055 -0.8385 2.1640 H 1 UNL1111111111 0.3260 39 H 3.0877 2.6675 -0.3937 H 1 UNL1111111111 0.3408 40 H -3.5787 -0.8742 -0.5579 H 1 UNL1111111111 0.3375 41 H -0.9771 -4.4024 0.7702 H 1 UNL1111111111 0.1371 42 H -0.7194 -3.5791 2.3542 H 1 UNL1111111111 0.1499 43 H -3.3142 0.7767 2.0880 H 1 UNL1111111111 0.1207 44 H -1.7220 -2.3234 -1.4456 H 1 UNL1111111111 0.3342 45 H 0.1549 -3.4381 -1.0743 H 1 UNL1111111111 0.3241 46 H 3.8621 -0.9279 -3.3808 H 1 UNL1111111111 0.3588 47 H 1.5911 -4.0637 0.9066 H 1 UNL1111111111 0.3266 48 H -5.6630 -0.2224 -2.3739 H 1 UNL1111111111 0.1787 49 H -6.7301 0.8400 -1.4433 H 1 UNL1111111111 0.1899 50 H -6.1578 -0.6789 -0.7293 H 1 UNL1111111111 0.1721 @BOND 1 1 16 1 2 1 18 1 3 2 16 1 4 2 19 1 5 3 14 1 6 3 37 1 7 4 15 1 8 4 38 1 9 5 17 1 10 5 39 1 11 6 20 1 12 6 44 1 13 7 22 1 14 7 45 1 15 8 23 1 16 8 46 1 17 9 23 2 18 10 24 1 19 10 47 1 20 11 25 2 21 12 26 2 22 13 21 1 23 13 26 am 24 13 40 1 25 14 15 1 26 14 16 1 27 14 28 1 28 15 17 1 29 15 29 1 30 16 30 1 31 17 19 1 32 17 31 1 33 18 20 1 34 18 21 1 35 18 32 1 36 19 23 1 37 19 33 1 38 20 22 1 39 20 34 1 40 21 25 1 41 21 35 1 42 22 24 1 43 22 36 1 44 24 41 1 45 24 42 1 46 25 43 1 47 26 27 1 48 27 48 1 49 27 49 1 50 27 50 1