@MOLECULE 4-o-alpha-d-galactopyranuronosyl-d-galactopyranuronic acid 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4147 -0.0629 -0.4322 O.3 1 UNL1111111111 -0.4539 2 O 1.7310 0.2390 -1.1468 O.3 1 UNL1111111111 -0.4154 3 O -3.5217 0.3688 0.0102 O.3 1 UNL1111111111 -0.4253 4 O -0.4332 2.8254 -0.8744 O.3 1 UNL1111111111 -0.5453 5 O 0.0047 -2.8608 -0.4183 O.3 1 UNL1111111111 -0.5826 6 O 1.7392 -2.6679 1.8504 O.3 1 UNL1111111111 -0.5195 7 O -2.3291 3.1520 1.3544 O.3 1 UNL1111111111 -0.5468 8 O 3.6525 -1.2905 0.5248 O.3 1 UNL1111111111 -0.5733 9 O -2.4114 -0.0876 2.0053 O.3 1 UNL1111111111 -0.6129 10 O -2.0822 -2.2326 -1.8785 O.3 1 UNL1111111111 -0.5505 11 O 3.0694 2.7815 -0.2758 O.3 1 UNL1111111111 -0.5353 12 O -2.4192 -2.1964 0.3389 O.2 1 UNL1111111111 -0.5257 13 O 4.5293 1.0883 -0.4269 O.2 1 UNL1111111111 -0.4899 14 C -1.3934 0.6115 -1.2132 C.3 1 UNL1111111111 0.0292 15 C -1.5529 2.0235 -0.6249 C.3 1 UNL1111111111 0.0697 16 C 0.6479 -0.6664 -1.1281 C.3 1 UNL1111111111 0.2770 17 C 1.0493 -1.9386 -0.3400 C.3 1 UNL1111111111 0.0601 18 C 1.3997 -1.5376 1.1043 C.3 1 UNL1111111111 0.0756 19 C -2.7152 -0.1553 -1.0017 C.3 1 UNL1111111111 0.0074 20 C -1.8135 1.9235 0.8867 C.3 1 UNL1111111111 0.0291 21 C 2.5819 -0.5408 1.0390 C.3 1 UNL1111111111 0.0678 22 C 2.1895 0.6459 0.1308 C.3 1 UNL1111111111 -0.0269 23 C -2.9370 0.8991 1.1837 C.3 1 UNL1111111111 0.3634 24 C -2.3944 -1.6182 -0.7209 C.2 1 UNL1111111111 0.6460 25 C 3.4098 1.4809 -0.2237 C.2 1 UNL1111111111 0.6244 26 H -1.1017 0.6506 -2.2847 H 1 UNL1111111111 0.1578 27 H -2.3773 2.5867 -1.1344 H 1 UNL1111111111 0.1732 28 H 0.4403 -0.8390 -2.2046 H 1 UNL1111111111 0.1569 29 H 1.9112 -2.4379 -0.8482 H 1 UNL1111111111 0.1763 30 H 0.5231 -1.1197 1.6572 H 1 UNL1111111111 0.1768 31 H -3.3855 -0.0735 -1.8983 H 1 UNL1111111111 0.1884 32 H -0.8923 1.6831 1.4623 H 1 UNL1111111111 0.1569 33 H 2.8772 -0.1933 2.0567 H 1 UNL1111111111 0.1561 34 H 1.3934 1.2630 0.6192 H 1 UNL1111111111 0.1732 35 H -3.8239 1.3422 1.6985 H 1 UNL1111111111 0.1740 36 H 0.4074 2.3249 -0.7731 H 1 UNL1111111111 0.3341 37 H -0.3800 -3.0569 0.4757 H 1 UNL1111111111 0.3670 38 H 2.5953 -3.0514 1.5370 H 1 UNL1111111111 0.3394 39 H -1.7313 3.8837 1.0827 H 1 UNL1111111111 0.3323 40 H 4.3026 -0.7132 0.0620 H 1 UNL1111111111 0.3631 41 H -2.4200 -0.9757 1.5762 H 1 UNL1111111111 0.3763 42 H -1.6338 -3.1176 -1.7447 H 1 UNL1111111111 0.3843 43 H 3.8107 3.3907 -0.5358 H 1 UNL1111111111 0.3675 @BOND 1 1 14 1 2 1 16 1 3 2 16 1 4 2 22 1 5 3 19 1 6 3 23 1 7 4 15 1 8 4 36 1 9 5 17 1 10 5 37 1 11 6 18 1 12 6 38 1 13 7 20 1 14 7 39 1 15 8 21 1 16 8 40 1 17 9 23 1 18 9 41 1 19 10 24 1 20 10 42 1 21 11 25 1 22 11 43 1 23 12 24 2 24 13 25 2 25 14 15 1 26 14 19 1 27 14 26 1 28 15 20 1 29 15 27 1 30 16 17 1 31 16 28 1 32 17 18 1 33 17 29 1 34 18 21 1 35 18 30 1 36 19 24 1 37 19 31 1 38 20 23 1 39 20 32 1 40 21 22 1 41 21 33 1 42 22 25 1 43 22 34 1 44 23 35 1