@MOLECULE (2r,3r,4r,5s)-2-(hydroxymethyl)-1-nonyl-3,4,5-piperidinetriol 51 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.6149 -0.8019 -1.4486 O.3 1 UNL11111111 -0.5673 2 O -4.0736 2.0224 -1.5056 O.3 1 UNL11111111 -0.5654 3 O -3.0795 2.8811 1.0411 O.3 1 UNL11111111 -0.5685 4 O -1.1309 -1.9555 -1.6173 O.3 1 UNL11111111 -0.5526 5 N -1.7038 -0.5362 0.7449 N.3 1 UNL11111111 -0.4457 6 C -2.8135 -1.1735 -0.0155 C.3 1 UNL11111111 -0.0508 7 C -3.4209 -0.1671 -1.0272 C.3 1 UNL11111111 0.1150 8 C -3.7883 1.1870 -0.3982 C.3 1 UNL11111111 0.0639 9 C -2.1490 0.6964 1.4348 C.3 1 UNL11111111 -0.1746 10 C -2.5837 1.7310 0.3807 C.3 1 UNL11111111 0.0893 11 C -1.0976 -1.4717 1.7305 C.3 1 UNL11111111 -0.1188 12 C -2.2554 -2.3462 -0.8625 C.3 1 UNL11111111 -0.0069 13 C 0.3158 -0.9980 2.1258 C.3 1 UNL11111111 -0.2759 14 C 1.2267 -0.8688 0.8996 C.3 1 UNL11111111 -0.2649 15 C 2.6411 -0.4449 1.3110 C.3 1 UNL11111111 -0.2760 16 C 3.5341 -0.2872 0.0737 C.3 1 UNL11111111 -0.2689 17 C 4.9508 0.1399 0.4774 C.3 1 UNL11111111 -0.2769 18 C 5.8412 0.3008 -0.7611 C.3 1 UNL11111111 -0.2720 19 C 7.2594 0.7286 -0.3606 C.3 1 UNL11111111 -0.2517 20 C 8.1485 0.8901 -1.5937 C.3 1 UNL11111111 -0.4394 21 H -3.6299 -1.5515 0.6500 H 1 UNL11111111 0.1436 22 H -2.7561 -0.0252 -1.9126 H 1 UNL11111111 0.1625 23 H -4.7008 1.1274 0.2351 H 1 UNL11111111 0.1501 24 H -2.9762 0.5242 2.1574 H 1 UNL11111111 0.1373 25 H -1.2945 1.1019 2.0204 H 1 UNL11111111 0.1510 26 H -1.7518 2.0209 -0.2960 H 1 UNL11111111 0.1451 27 H -1.7244 -1.5900 2.6401 H 1 UNL11111111 0.1171 28 H -1.0124 -2.4829 1.2740 H 1 UNL11111111 0.1475 29 H -1.9682 -3.2141 -0.2446 H 1 UNL11111111 0.1122 30 H -2.9942 -2.6687 -1.6249 H 1 UNL11111111 0.1607 31 H 0.7461 -1.7223 2.8437 H 1 UNL11111111 0.1365 32 H 0.2684 -0.0337 2.6632 H 1 UNL11111111 0.1361 33 H 0.7998 -0.1277 0.1948 H 1 UNL11111111 0.1522 34 H 1.2614 -1.8269 0.3474 H 1 UNL11111111 0.1401 35 H -5.0865 -0.2188 -2.0841 H 1 UNL11111111 0.3380 36 H 2.6045 0.5057 1.8744 H 1 UNL11111111 0.1345 37 H 3.0774 -1.1909 2.0007 H 1 UNL11111111 0.1350 38 H -4.1908 2.9474 -1.1991 H 1 UNL11111111 0.3362 39 H -2.3541 3.3895 1.4521 H 1 UNL11111111 0.3231 40 H 3.5716 -1.2382 -0.4904 H 1 UNL11111111 0.1392 41 H 3.0960 0.4576 -0.6171 H 1 UNL11111111 0.1385 42 H 4.9144 1.0891 1.0432 H 1 UNL11111111 0.1344 43 H 5.3903 -0.6062 1.1651 H 1 UNL11111111 0.1355 44 H -0.5969 -1.3044 -1.1047 H 1 UNL11111111 0.3353 45 H 5.8791 -0.6485 -1.3273 H 1 UNL11111111 0.1380 46 H 5.4025 1.0462 -1.4501 H 1 UNL11111111 0.1370 47 H 7.6996 -0.0176 0.3274 H 1 UNL11111111 0.1334 48 H 7.2225 1.6782 0.2057 H 1 UNL11111111 0.1328 49 H 8.2290 -0.0475 -2.1548 H 1 UNL11111111 0.1429 50 H 7.7521 1.6497 -2.2766 H 1 UNL11111111 0.1426 51 H 9.1630 1.1953 -1.3147 H 1 UNL11111111 0.1400 @BOND 1 50 20 1 2 49 20 1 3 35 1 1 4 22 7 1 5 30 12 1 6 4 44 1 7 4 12 1 8 20 51 1 9 20 19 1 10 2 38 1 11 2 8 1 12 46 18 1 13 1 7 1 14 45 18 1 15 7 8 1 16 7 6 1 17 12 29 1 18 12 6 1 19 18 19 1 20 18 17 1 21 41 16 1 22 40 16 1 23 8 23 1 24 8 10 1 25 19 48 1 26 19 47 1 27 26 10 1 28 6 21 1 29 6 5 1 30 16 17 1 31 16 15 1 32 33 14 1 33 34 14 1 34 10 3 1 35 10 9 1 36 17 42 1 37 17 43 1 38 5 9 1 39 5 11 1 40 14 15 1 41 14 13 1 42 3 39 1 43 28 11 1 44 15 36 1 45 15 37 1 46 9 25 1 47 9 24 1 48 11 13 1 49 11 27 1 50 13 32 1 51 13 31 1