@MOLECULE 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-d-allitol 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4013 1.0457 -0.2006 O.2 1 UNL1111111111 -0.5944 2 C 1.7339 -0.0600 0.2115 C.2 1 UNL1111111111 0.6165 3 C 3.0954 -0.3324 0.7866 C.3 1 UNL1111111111 -0.3923 4 C 4.0874 0.7712 0.3739 C.3 1 UNL1111111111 -0.0696 5 C 4.4376 0.6449 -1.1186 C.3 1 UNL1111111111 -0.2790 6 C 5.4433 1.7308 -1.5222 C.3 1 UNL1111111111 -0.2559 7 C 6.7130 1.6364 -0.6657 C.3 1 UNL1111111111 -0.2659 8 C 6.3634 1.7535 0.8239 C.3 1 UNL1111111111 -0.2593 9 C 5.3616 0.6642 1.2297 C.3 1 UNL1111111111 -0.2777 10 N 0.8020 -1.0796 0.1592 N.am 1 UNL1111111111 -0.5139 11 C 1.0316 -2.4236 0.6800 C.3 1 UNL1111111111 -0.0825 12 C 1.6499 -3.3579 -0.3816 C.3 1 UNL1111111111 -0.0270 13 O 3.0102 -3.4781 0.0050 O.3 1 UNL1111111111 -0.5640 14 C -0.4547 -0.8626 -0.5676 C.3 1 UNL1111111111 -0.1271 15 C -1.5037 -0.1546 0.3173 C.3 1 UNL1111111111 0.1277 16 O -1.1792 1.2013 0.5139 O.3 1 UNL1111111111 -0.6391 17 C -2.8736 -0.1840 -0.4106 C.3 1 UNL1111111111 0.0585 18 O -3.1731 -1.5572 -0.5384 O.3 1 UNL1111111111 -0.5917 19 C -3.9609 0.5704 0.3867 C.3 1 UNL1111111111 0.0758 20 O -3.7366 1.9612 0.3203 O.3 1 UNL1111111111 -0.5739 21 C -5.3522 0.3675 -0.2549 C.3 1 UNL1111111111 0.1145 22 O -5.7158 -0.9557 0.1186 O.3 1 UNL1111111111 -0.6037 23 C -6.3728 1.3621 0.3067 C.3 1 UNL1111111111 -0.0447 24 O -7.5513 1.0989 -0.4450 O.3 1 UNL1111111111 -0.5766 25 H 3.0222 -0.3817 1.8932 H 1 UNL1111111111 0.1717 26 H 3.4835 -1.3249 0.4645 H 1 UNL1111111111 0.1944 27 H 3.6121 1.7697 0.5466 H 1 UNL1111111111 0.1606 28 H 4.8524 -0.3555 -1.3329 H 1 UNL1111111111 0.1314 29 H 3.5171 0.7399 -1.7260 H 1 UNL1111111111 0.1433 30 H 4.9822 2.7304 -1.4072 H 1 UNL1111111111 0.1408 31 H 5.6968 1.6321 -2.5927 H 1 UNL1111111111 0.1271 32 H 7.4261 2.4296 -0.9526 H 1 UNL1111111111 0.1269 33 H 7.2267 0.6765 -0.8582 H 1 UNL1111111111 0.1331 34 H 5.9386 2.7532 1.0338 H 1 UNL1111111111 0.1379 35 H 7.2786 1.6744 1.4373 H 1 UNL1111111111 0.1259 36 H 5.1122 0.7620 2.3014 H 1 UNL1111111111 0.1306 37 H 5.8198 -0.3340 1.1074 H 1 UNL1111111111 0.1363 38 H 0.0664 -2.8430 1.0486 H 1 UNL1111111111 0.1555 39 H 1.7061 -2.3879 1.5708 H 1 UNL1111111111 0.1699 40 H 1.5908 -2.9361 -1.3999 H 1 UNL1111111111 0.1312 41 H 1.1892 -4.3606 -0.3636 H 1 UNL1111111111 0.1210 42 H 3.5109 -4.0085 -0.6424 H 1 UNL1111111111 0.3196 43 H -0.2571 -0.2438 -1.4770 H 1 UNL1111111111 0.1658 44 H -0.8642 -1.8355 -0.9278 H 1 UNL1111111111 0.1700 45 H -1.5694 -0.6066 1.3299 H 1 UNL1111111111 0.1413 46 H -0.2492 1.3918 0.2123 H 1 UNL1111111111 0.3885 47 H -2.7887 0.2264 -1.4416 H 1 UNL1111111111 0.1442 48 H -4.1235 -1.7266 -0.3381 H 1 UNL1111111111 0.3616 49 H -3.9687 0.2642 1.4567 H 1 UNL1111111111 0.1453 50 H -2.7599 2.1239 0.4186 H 1 UNL1111111111 0.3671 51 H -5.3209 0.4129 -1.3661 H 1 UNL1111111111 0.1449 52 H -6.6501 -1.1262 -0.1304 H 1 UNL1111111111 0.3526 53 H -6.5926 1.1760 1.3723 H 1 UNL1111111111 0.1338 54 H -6.0435 2.4078 0.1616 H 1 UNL1111111111 0.1498 55 H -8.1903 1.8274 -0.3483 H 1 UNL1111111111 0.3230 @BOND 1 1 2 2 2 2 3 1 3 2 10 am 4 3 4 1 5 3 25 1 6 3 26 1 7 4 5 1 8 4 9 1 9 4 27 1 10 5 6 1 11 5 28 1 12 5 29 1 13 6 7 1 14 6 30 1 15 6 31 1 16 7 8 1 17 7 32 1 18 7 33 1 19 8 9 1 20 8 34 1 21 8 35 1 22 9 36 1 23 9 37 1 24 10 11 1 25 10 14 1 26 11 12 1 27 11 38 1 28 11 39 1 29 12 13 1 30 12 40 1 31 12 41 1 32 13 42 1 33 14 15 1 34 14 43 1 35 14 44 1 36 15 16 1 37 15 17 1 38 15 45 1 39 16 46 1 40 17 18 1 41 17 19 1 42 17 47 1 43 18 48 1 44 19 20 1 45 19 21 1 46 19 49 1 47 20 50 1 48 21 22 1 49 21 23 1 50 21 51 1 51 22 52 1 52 23 24 1 53 23 53 1 54 23 54 1 55 24 55 1