@MOLECULE (2r,3r,4r,5s)-2-(hydroxymethyl)-1-pentyl-3,4,5-piperidinetriol 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5614 1.8910 -0.4134 O.3 1 UNL1111111111 -0.5910 2 O 3.3347 -0.6304 -1.4845 O.3 1 UNL1111111111 -0.5686 3 O 2.4370 -2.8011 0.1539 O.3 1 UNL1111111111 -0.5649 4 O 0.4356 3.3231 0.3985 O.3 1 UNL1111111111 -0.5567 5 N -0.2086 -0.3235 0.6628 N.3 1 UNL1111111111 -0.4352 6 C 0.5964 0.9210 0.6325 C.3 1 UNL1111111111 -0.0696 7 C 1.6642 0.8041 -0.4929 C.3 1 UNL1111111111 0.0941 8 C 2.5523 -0.4370 -0.3225 C.3 1 UNL1111111111 0.0613 9 C 1.6597 -1.6853 -0.2350 C.3 1 UNL1111111111 0.1238 10 C 0.6368 -1.5186 0.9033 C.3 1 UNL1111111111 -0.1504 11 C -1.3007 -0.2961 1.6737 C.3 1 UNL1111111111 -0.1151 12 C -0.3095 2.1253 0.2732 C.3 1 UNL1111111111 -0.0179 13 C -2.5447 -0.9738 1.0639 C.3 1 UNL1111111111 -0.2701 14 C -3.1528 -0.1148 -0.0507 C.3 1 UNL1111111111 -0.2625 15 C -4.3662 -0.8125 -0.6782 C.3 1 UNL1111111111 -0.2541 16 C -4.9627 0.0414 -1.7973 C.3 1 UNL1111111111 -0.4399 17 H 1.1161 1.1224 1.6019 H 1 UNL1111111111 0.1336 18 H 1.1923 0.8160 -1.5019 H 1 UNL1111111111 0.1461 19 H 3.2422 -0.3438 0.5440 H 1 UNL1111111111 0.1476 20 H 1.1783 -1.9129 -1.2111 H 1 UNL1111111111 0.1481 21 H -0.0238 -2.4161 0.9214 H 1 UNL1111111111 0.1628 22 H 1.1689 -1.4963 1.8794 H 1 UNL1111111111 0.1358 23 H -1.0161 -0.8124 2.6163 H 1 UNL1111111111 0.1222 24 H -1.5552 0.7407 1.9733 H 1 UNL1111111111 0.1300 25 H -1.2164 2.1926 0.8965 H 1 UNL1111111111 0.1259 26 H -0.6113 2.1204 -0.7921 H 1 UNL1111111111 0.1590 27 H -2.2702 -1.9675 0.6593 H 1 UNL1111111111 0.1495 28 H -3.2899 -1.1571 1.8586 H 1 UNL1111111111 0.1301 29 H 2.0554 2.7323 -0.3075 H 1 UNL1111111111 0.3533 30 H -3.4465 0.8747 0.3414 H 1 UNL1111111111 0.1263 31 H -2.3830 0.0755 -0.8266 H 1 UNL1111111111 0.1567 32 H 3.7980 0.2072 -1.7111 H 1 UNL1111111111 0.3408 33 H 3.2192 -2.8745 -0.4373 H 1 UNL1111111111 0.3381 34 H -4.0684 -1.8011 -1.0764 H 1 UNL1111111111 0.1356 35 H -5.1318 -1.0139 0.0937 H 1 UNL1111111111 0.1299 36 H 0.6369 3.5167 1.3368 H 1 UNL1111111111 0.3206 37 H -5.8261 -0.4519 -2.2564 H 1 UNL1111111111 0.1387 38 H -5.2996 1.0144 -1.4233 H 1 UNL1111111111 0.1412 39 H -4.2297 0.2278 -2.5907 H 1 UNL1111111111 0.1447 @BOND 1 1 7 1 2 1 29 1 3 2 8 1 4 2 32 1 5 3 9 1 6 3 33 1 7 4 12 1 8 4 36 1 9 5 6 1 10 5 10 1 11 5 11 1 12 6 7 1 13 6 12 1 14 6 17 1 15 7 8 1 16 7 18 1 17 8 9 1 18 8 19 1 19 9 10 1 20 9 20 1 21 10 21 1 22 10 22 1 23 11 13 1 24 11 23 1 25 11 24 1 26 12 25 1 27 12 26 1 28 13 14 1 29 13 27 1 30 13 28 1 31 14 15 1 32 14 30 1 33 14 31 1 34 15 16 1 35 15 34 1 36 15 35 1 37 16 37 1 38 16 38 1 39 16 39 1