@MOLECULE (2r,3s,4s,6s)-2-(hydroxymethyl)-6-(2-hydroxyundecyl)-3,4-piperidinediol 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8783 0.7111 2.6233 O.3 1 UNL1111111111 -0.5520 2 O 6.0833 0.5749 -0.2406 O.3 1 UNL1111111111 -0.5581 3 O 0.3712 -2.9776 -1.5036 O.3 1 UNL1111111111 -0.5685 4 O 5.1776 2.8468 -1.4736 O.3 1 UNL1111111111 -0.5552 5 N 3.0795 -0.0380 -0.7405 N.3 1 UNL1111111111 -0.5626 6 C 2.7435 -0.8504 0.4481 C.3 1 UNL1111111111 0.0746 7 C 3.9994 -1.1987 1.2816 C.3 1 UNL1111111111 -0.3633 8 CA 3.7273 1.2292 -0.3586 C.3 1 UNL1111111111 -0.0459 9 C 4.7398 0.0746 1.6963 C.3 1 UNL1111111111 0.1053 10 C 4.9876 1.0439 0.5173 C.3 1 UNL1111111111 0.0435 11 C 2.0387 -2.1411 -0.0002 C.3 1 UNL1111111111 -0.3721 12 C 0.7353 -1.8317 -0.7611 C.3 1 UNL1111111111 0.1756 13 C 4.0580 2.0151 -1.6527 C.3 1 UNL1111111111 -0.0053 14 C -0.3999 -1.4179 0.1831 C.3 1 UNL1111111111 -0.3369 15 C -1.6448 -1.0349 -0.6240 C.3 1 UNL1111111111 -0.2618 16 C -2.8186 -0.7087 0.3065 C.3 1 UNL1111111111 -0.2755 17 C -4.0553 -0.3048 -0.5061 C.3 1 UNL1111111111 -0.2731 18 C -5.2335 0.0161 0.4220 C.3 1 UNL1111111111 -0.2736 19 C -6.4729 0.4094 -0.3917 C.3 1 UNL1111111111 -0.2741 20 C -7.6513 0.7305 0.5363 C.3 1 UNL1111111111 -0.2726 21 C -8.8901 1.1315 -0.2758 C.3 1 UNL1111111111 -0.2508 22 C -10.0696 1.4414 0.6462 C.3 1 UNL1111111111 -0.4398 23 H 2.0494 -0.2384 1.0870 H 1 UNL1111111111 0.1622 24 H 3.6951 -1.7529 2.1924 H 1 UNL1111111111 0.1688 25 H 4.6741 -1.8693 0.7240 H 1 UNL1111111111 0.1452 26 HA 2.9820 1.8127 0.2500 H 1 UNL1111111111 0.1698 27 H 5.7029 -0.1690 2.1997 H 1 UNL1111111111 0.1289 28 H 5.3560 2.0308 0.8863 H 1 UNL1111111111 0.1602 29 H 1.8324 -2.7789 0.8768 H 1 UNL1111111111 0.1466 30 H 2.6956 -2.7401 -0.6608 H 1 UNL1111111111 0.1582 31 H 3.6303 -0.5670 -1.4125 H 1 UNL1111111111 0.2552 32 H 0.9060 -1.0767 -1.5659 H 1 UNL1111111111 0.1640 33 H1 4.2326 1.3462 -2.5140 H 1 UNL1111111111 0.1193 34 H2 3.2487 2.7249 -1.9081 H 1 UNL1111111111 0.1494 35 H -0.6348 -2.2359 0.8873 H 1 UNL1111111111 0.1384 36 H -0.0759 -0.5629 0.8072 H 1 UNL1111111111 0.1521 37 H -1.4209 -0.1676 -1.2743 H 1 UNL1111111111 0.1415 38 H -1.9157 -1.8592 -1.3127 H 1 UNL1111111111 0.1482 39 H 4.3310 1.4518 3.0711 H 1 UNL1111111111 0.3163 40 H 5.8628 -0.2620 -0.6945 H 1 UNL1111111111 0.3176 41 H -3.0538 -1.5817 0.9429 H 1 UNL1111111111 0.1336 42 H -2.5386 0.1063 0.9998 H 1 UNL1111111111 0.1365 43 H -3.8233 0.5714 -1.1399 H 1 UNL1111111111 0.1369 44 H -4.3326 -1.1178 -1.2030 H 1 UNL1111111111 0.1380 45 H 0.0351 -3.6872 -0.9276 H 1 UNL1111111111 0.3106 46 H -5.4618 -0.8571 1.0610 H 1 UNL1111111111 0.1361 47 H -4.9594 0.8344 1.1135 H 1 UNL1111111111 0.1356 48 H 5.9822 2.3050 -1.3072 H 1 UNL1111111111 0.3350 49 H -6.7475 -0.4088 -1.0832 H 1 UNL1111111111 0.1369 50 H -6.2450 1.2831 -1.0303 H 1 UNL1111111111 0.1365 51 H -7.3762 1.5447 1.2320 H 1 UNL1111111111 0.1362 52 H -7.8834 -0.1444 1.1715 H 1 UNL1111111111 0.1363 53 H -8.6608 2.0121 -0.9050 H 1 UNL1111111111 0.1336 54 H -9.1616 0.3203 -0.9773 H 1 UNL1111111111 0.1338 55 H -9.8364 2.2631 1.3323 H 1 UNL1111111111 0.1422 56 H -10.9561 1.7328 0.0723 H 1 UNL1111111111 0.1401 57 H -10.3419 0.5714 1.2540 H 1 UNL1111111111 0.1422 @BOND 1 1 9 1 2 1 39 1 3 2 10 1 4 2 40 1 5 3 12 1 6 3 45 1 7 4 13 1 8 4 48 1 9 5 6 1 10 5 8 1 11 5 31 1 12 6 7 1 13 6 11 1 14 6 23 1 15 7 9 1 16 7 24 1 17 7 25 1 18 8 10 1 19 8 13 1 20 8 26 1 21 9 10 1 22 9 27 1 23 10 28 1 24 11 12 1 25 11 29 1 26 11 30 1 27 12 14 1 28 12 32 1 29 13 33 1 30 13 34 1 31 14 15 1 32 14 35 1 33 14 36 1 34 15 16 1 35 15 37 1 36 15 38 1 37 16 17 1 38 16 41 1 39 16 42 1 40 17 18 1 41 17 43 1 42 17 44 1 43 18 19 1 44 18 46 1 45 18 47 1 46 19 20 1 47 19 49 1 48 19 50 1 49 20 21 1 50 20 51 1 51 20 52 1 52 21 22 1 53 21 53 1 54 21 54 1 55 22 55 1 56 22 56 1 57 22 57 1