@MOLECULE allyl (6r)-3-deoxy-6-[(1r)-1,2-dihydroxyethyl]-beta-l-erythro-hex-2-ulopyranosidonic acid 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.8302 -1.0498 1.4765 C.2 1 UNL1111111111 0.5834 2 O -2.8236 -0.3330 2.0489 O.3 1 UNL1111111111 -0.5488 3 O -1.4895 -2.1168 1.9039 O.2 1 UNL1111111111 -0.4797 4 C -1.2838 -0.3110 0.2336 C.3 1 UNL1111111111 0.4160 5 C -2.0216 0.9834 -0.0994 C.3 1 UNL1111111111 -0.3766 6 C -1.2535 1.7141 -1.2014 C.3 1 UNL1111111111 0.1118 7 O -1.7645 3.0217 -1.3847 O.3 1 UNL1111111111 -0.5729 8 C 0.2084 1.9422 -0.7551 C.3 1 UNL1111111111 0.0751 9 O 0.2484 2.7429 0.4062 O.3 1 UNL1111111111 -0.5392 10 C 0.8425 0.5931 -0.3831 C.3 1 UNL1111111111 0.0677 11 O 0.0598 -0.1191 0.5703 O.3 1 UNL1111111111 -0.4338 12 C 2.2124 0.7755 0.3053 C.3 1 UNL1111111111 0.1278 13 O 3.1329 0.5966 -0.7591 O.3 1 UNL1111111111 -0.5778 14 C 2.4524 -0.2865 1.3899 C.3 1 UNL1111111111 -0.0445 15 O 3.7722 -0.0108 1.8429 O.3 1 UNL1111111111 -0.5711 16 O -1.4457 -1.1294 -0.8888 O.3 1 UNL1111111111 -0.4459 17 C -0.6764 -2.3329 -0.9256 C.3 1 UNL1111111111 -0.0372 18 C 0.1416 -2.2907 -2.1752 C.2 1 UNL1111111111 -0.1470 19 C 1.1875 -3.0912 -2.3720 C.2 1 UNL1111111111 -0.3182 20 H -3.2133 -0.7631 2.8523 H 1 UNL1111111111 0.3583 21 H -3.0655 0.7715 -0.3949 H 1 UNL1111111111 0.1705 22 H -2.0773 1.6216 0.8128 H 1 UNL1111111111 0.1993 23 H -1.3089 1.1785 -2.1747 H 1 UNL1111111111 0.1374 24 H -2.7278 3.0048 -1.5392 H 1 UNL1111111111 0.3272 25 H 0.7994 2.4598 -1.5457 H 1 UNL1111111111 0.1503 26 H -0.3546 3.5129 0.2890 H 1 UNL1111111111 0.3348 27 H 0.9523 -0.0522 -1.2908 H 1 UNL1111111111 0.1640 28 H 2.3569 1.8040 0.7115 H 1 UNL1111111111 0.1661 29 H 4.0338 0.4579 -0.3915 H 1 UNL1111111111 0.3434 30 H 1.7391 -0.1863 2.2274 H 1 UNL1111111111 0.1414 31 H 2.4231 -1.3111 0.9818 H 1 UNL1111111111 0.1320 32 H 3.9896 -0.5660 2.6140 H 1 UNL1111111111 0.3216 33 H -1.4388 -3.1389 -0.9577 H 1 UNL1111111111 0.1489 34 H -0.0646 -2.4622 -0.0115 H 1 UNL1111111111 0.1627 35 H -0.1949 -1.5650 -2.9167 H 1 UNL1111111111 0.1578 36 H 1.7812 -3.0822 -3.2733 H 1 UNL1111111111 0.1484 37 H 1.5387 -3.8151 -1.6530 H 1 UNL1111111111 0.1467 @BOND 1 1 2 1 2 1 3 2 3 1 4 1 4 2 20 1 5 4 5 1 6 4 11 1 7 4 16 1 8 5 6 1 9 5 21 1 10 5 22 1 11 6 7 1 12 6 8 1 13 6 23 1 14 7 24 1 15 8 9 1 16 8 10 1 17 8 25 1 18 9 26 1 19 10 11 1 20 10 12 1 21 10 27 1 22 12 13 1 23 12 14 1 24 12 28 1 25 13 29 1 26 14 15 1 27 14 30 1 28 14 31 1 29 15 32 1 30 16 17 1 31 17 18 1 32 17 33 1 33 17 34 1 34 18 19 2 35 18 35 1 36 19 36 1 37 19 37 1