@MOLECULE 2,3-di-o-methyl-beta-d-glucopyranuronic acid 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2386 2.6300 -0.5983 O.3 1 UNL1111111111 -0.4508 2 C -0.7558 1.5831 0.1901 C.3 1 UNL1111111111 -0.0945 3 C -1.5663 0.3038 -0.1266 C.3 1 UNL1111111111 -0.2481 4 O -2.6181 0.2581 0.8253 O.3 1 UNL1111111111 -0.0520 5 C -3.7541 1.0208 0.4555 C.3 1 UNL1111111111 -0.9052 6 C -0.8221 -1.0247 0.1063 C.3 1 UNL1111111111 -0.0451 7 O -1.3384 -1.8585 -0.9190 O.3 1 UNL1111111111 -0.1042 8 C -1.2732 -3.2418 -0.6193 C.3 1 UNL1111111111 -0.7455 9 O 0.6120 1.4621 -0.1855 O.3 1 UNL1111111111 -0.2849 10 C 1.2790 0.3901 0.4322 C.3 1 UNL1111111111 0.2355 11 C 2.7253 0.5673 0.0077 C.2 1 UNL1111111111 0.1555 12 O 3.4495 -0.4809 0.5103 O.3 1 UNL1111111111 -0.5175 13 O 3.2539 1.4189 -0.6407 O.2 1 UNL1111111111 -0.2253 14 C 0.7062 -0.9458 -0.0883 C.3 1 UNL1111111111 -0.3152 15 O 1.2167 -2.0000 0.6975 O.3 1 UNL1111111111 -0.4313 16 H -0.6852 2.7521 -1.4058 H 1 UNL1111111111 0.3976 17 H -0.8442 1.9255 1.2428 H 1 UNL1111111111 0.2479 18 H -1.9648 0.3395 -1.1679 H 1 UNL1111111111 0.2679 19 H -4.3969 0.9458 1.3411 H 1 UNL1111111111 0.3193 20 H -3.4870 2.0660 0.2600 H 1 UNL1111111111 0.3347 21 H -4.2466 0.5754 -0.4146 H 1 UNL1111111111 0.2693 22 H -1.0643 -1.4377 1.1161 H 1 UNL1111111111 0.2633 23 H -0.2495 -3.5489 -0.3740 H 1 UNL1111111111 0.2694 24 H -1.9574 -3.4866 0.1990 H 1 UNL1111111111 0.2356 25 H -1.6049 -3.7102 -1.5535 H 1 UNL1111111111 0.2712 26 H 1.1938 0.4602 1.5451 H 1 UNL1111111111 0.1550 27 H 4.4083 -0.4597 0.2766 H 1 UNL1111111111 0.3865 28 H 0.9739 -1.1257 -1.1544 H 1 UNL1111111111 0.2557 29 H 2.1968 -1.9371 0.7546 H 1 UNL1111111111 0.3553 @BOND 1 1 2 1 2 1 16 1 3 2 3 1 4 2 9 1 5 2 17 1 6 3 4 1 7 3 6 1 8 3 18 1 9 4 5 1 10 5 19 1 11 5 20 1 12 5 21 1 13 6 7 1 14 6 14 1 15 6 22 1 16 7 8 1 17 8 23 1 18 8 24 1 19 8 25 1 20 9 10 1 21 10 11 1 22 10 14 1 23 10 26 1 24 11 12 1 25 11 13 2 26 12 27 1 27 14 15 1 28 14 28 1 29 15 29 1