@MOLECULE 6-(4-hydroxy-2-methylenebutyryl)-d-glucopyranose 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4271 0.3274 -1.1048 O.3 1 UNL111111111 -0.4679 2 O 1.8564 -2.6717 0.2617 O.3 1 UNL111111111 -0.5570 3 O 2.8622 -0.6183 2.0312 O.3 1 UNL111111111 -0.5661 4 O 3.2862 1.8828 0.5567 O.3 1 UNL111111111 -0.5307 5 O 2.5058 0.9660 -1.8672 O.3 1 UNL111111111 -0.6039 6 O -1.4315 -1.2834 -0.0963 O.3 1 UNL111111111 -0.4212 7 O -3.0507 -0.6608 -1.5380 O.2 1 UNL111111111 -0.4893 8 O -1.0246 1.9053 0.5634 O.3 1 UNL111111111 -0.5707 9 C 1.3719 -1.3489 0.3902 C.3 1 UNL111111111 0.0795 10 C 2.5528 -0.4016 0.6690 C.3 1 UNL111111111 0.0497 11 C 0.7466 -1.0521 -0.9872 C.3 1 UNL111111111 0.0722 12 C 2.1518 1.0647 0.4471 C.3 1 UNL111111111 0.0293 13 C 1.4885 1.2273 -0.9361 C.3 1 UNL111111111 0.3144 14 C -0.6025 -1.7649 -1.1492 C.3 1 UNL111111111 -0.0514 15 C -2.5962 -0.6619 -0.4251 C.2 1 UNL111111111 0.5951 16 C -3.1426 -0.0256 0.7996 C.2 1 UNL111111111 -0.0556 17 C -3.4021 1.4387 0.6869 C.3 1 UNL111111111 -0.3241 18 C -2.2678 2.1909 -0.0329 C.3 1 UNL111111111 0.0160 19 C -3.3773 -0.7528 1.8923 C.2 1 UNL111111111 -0.2658 20 H 0.6261 -1.3201 1.2166 H 1 UNL111111111 0.1603 21 H 3.4481 -0.6782 0.0661 H 1 UNL111111111 0.1532 22 H 1.4493 -1.3333 -1.8056 H 1 UNL111111111 0.1582 23 H 1.4803 1.4419 1.2585 H 1 UNL111111111 0.1840 24 H 1.0161 2.2178 -1.1185 H 1 UNL111111111 0.1568 25 H -1.0526 -1.5851 -2.1427 H 1 UNL111111111 0.1617 26 H -0.5026 -2.8535 -0.9649 H 1 UNL111111111 0.1661 27 H 2.3666 -2.9112 1.0682 H 1 UNL111111111 0.3395 28 H 3.4364 0.1069 2.3639 H 1 UNL111111111 0.3388 29 H 3.8579 1.7894 -0.2416 H 1 UNL111111111 0.3336 30 H 2.1748 0.9963 -2.7870 H 1 UNL111111111 0.3460 31 H -4.3577 1.6089 0.1435 H 1 UNL111111111 0.1653 32 H -3.5424 1.8820 1.6964 H 1 UNL111111111 0.1669 33 H -2.2312 1.9464 -1.1100 H 1 UNL111111111 0.1231 34 H -2.3682 3.2851 0.0953 H 1 UNL111111111 0.1386 35 H -3.7808 -0.3423 2.8073 H 1 UNL111111111 0.1575 36 H -3.1781 -1.8143 1.9598 H 1 UNL111111111 0.1612 37 H -0.7156 1.0134 0.2940 H 1 UNL111111111 0.3368 @BOND 1 1 11 1 2 1 13 1 3 2 9 1 4 2 27 1 5 3 10 1 6 3 28 1 7 4 12 1 8 4 29 1 9 5 13 1 10 5 30 1 11 6 14 1 12 6 15 1 13 7 15 2 14 8 18 1 15 8 37 1 16 9 10 1 17 9 11 1 18 9 20 1 19 10 12 1 20 10 21 1 21 11 14 1 22 11 22 1 23 12 13 1 24 12 23 1 25 13 24 1 26 14 25 1 27 14 26 1 28 15 16 1 29 16 17 1 30 16 19 2 31 17 18 1 32 17 31 1 33 17 32 1 34 18 33 1 35 18 34 1 36 19 35 1 37 19 36 1