@MOLECULE (1r,2s,3r,4s,5s)-5-[(1,3-dihydroxy-2-propanyl)amino]-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.7684 -1.6971 -1.3378 O.3 0 UNK0 -0.5727 2 O 3.8088 0.0929 0.6950 O.3 0 UNK0 -0.5470 3 O -0.1224 2.4831 0.7401 O.3 0 UNK0 -0.5667 4 O 2.6557 2.6593 0.0108 O.3 0 UNK0 -0.5439 5 O 1.1298 -2.9079 0.6038 O.3 0 UNK0 -0.5734 6 OG -4.5540 0.8254 -0.6662 O.3 1 SER1 -0.5514 7 O -4.1627 -0.8865 1.4383 O.3 1 SER1 -0.5520 8 N -1.5674 0.5117 -0.7075 N.3 1 SER1 -0.5910 9 C 1.9807 -0.9740 -0.4109 C.3 0 UNK0 0.2423 10 C -0.2120 0.2450 -0.1829 C.3 0 UNK0 -0.0026 11 C 0.5953 -0.7507 -1.0254 C.3 0 UNK0 -0.3881 12 C 2.7723 0.3471 -0.2335 C.3 0 UNK0 0.0847 13 C 0.5259 1.6052 -0.1606 C.3 0 UNK0 0.0750 14 C 1.9585 1.4894 0.3993 C.3 0 UNK0 0.0968 15 C 1.9192 -1.7670 0.9099 C.3 0 UNK0 -0.0485 16 CA -2.5561 -0.5410 -0.3625 C.3 1 SER1 -0.0589 17 CB -3.8402 -0.2835 -1.1772 C.3 1 SER1 -0.0199 18 C -2.8600 -0.4418 1.1587 C.3 1 SER1 0.0008 19 H -0.3039 -0.1314 0.8695 H 0 UNK0 0.1608 20 H 0.0617 -1.7210 -1.0978 H 0 UNK0 0.1762 21 H 0.7110 -0.3963 -2.0679 H 0 UNK0 0.1631 22 H 3.2089 0.6725 -1.2081 H 0 UNK0 0.1634 23 H 0.5309 2.0916 -1.1615 H 0 UNK0 0.1415 24 H 1.9605 1.4210 1.5115 H 0 UNK0 0.1564 25 H 1.4380 -1.1951 1.7201 H 0 UNK0 0.1323 26 H 2.9275 -2.0881 1.2291 H 0 UNK0 0.1434 27 H -1.5410 0.6734 -1.7160 H 1 SER1 0.2659 28 HA -2.1809 -1.5690 -0.5964 H 1 SER1 0.1394 29 H 2.4655 -2.6307 -1.3804 H 0 UNK0 0.3390 30 H 4.5587 -0.3493 0.2424 H 0 UNK0 0.3288 31 H -1.0961 2.4168 0.6095 H 0 UNK0 0.3396 32 H 2.2191 3.4458 0.4067 H 0 UNK0 0.3293 33 HB1 -4.5581 -1.1227 -1.0807 H 1 SER1 0.1578 34 HB2 -3.6344 -0.1019 -2.2466 H 1 SER1 0.1211 35 H1 -2.2257 -1.1304 1.7462 H 1 SER1 0.1389 36 H2 -2.7312 0.5910 1.5303 H 1 SER1 0.1271 37 H 1.1602 -3.5498 1.3382 H 0 UNK0 0.3240 38 H -3.9317 1.5626 -0.4827 H 1 SER1 0.3290 39 H -4.8231 -0.2714 1.0393 H 1 SER1 0.3395 @BOND 1 1 9 1 2 1 29 1 3 2 12 1 4 2 30 1 5 3 13 1 6 3 31 1 7 4 14 1 8 4 32 1 9 5 15 1 10 5 37 1 11 6 17 1 12 6 38 1 13 7 18 1 14 7 39 1 15 8 10 1 16 8 16 1 17 8 27 1 18 9 11 1 19 9 12 1 20 9 15 1 21 10 11 1 22 10 13 1 23 10 19 1 24 11 20 1 25 11 21 1 26 12 14 1 27 12 22 1 28 13 14 1 29 13 23 1 30 14 24 1 31 15 25 1 32 15 26 1 33 16 17 1 34 16 18 1 35 16 28 1 36 17 33 1 37 17 34 1 38 18 35 1 39 18 36 1