@MOLECULE 5-amino-6-cyclohexyl-2,5,6-trideoxy-2-isopropyl-l-idonic acid 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.9729 -2.0099 0.4932 N.3 1 UNL1111111111 -0.6578 2 C 0.8779 -0.5694 0.1573 C.3 1 UNL1111111111 0.0064 3 C 2.0026 -0.0971 -0.7854 C.3 1 UNL1111111111 -0.3485 4 C 3.3921 -0.1844 -0.1369 C.3 1 UNL1111111111 -0.0962 5 C 4.4807 -0.0846 -1.2221 C.3 1 UNL1111111111 -0.2804 6 C 3.5881 0.9420 0.8941 C.3 1 UNL1111111111 -0.2779 7 C 5.8730 -0.1910 -0.5869 C.3 1 UNL1111111111 -0.2634 8 C 4.9789 0.8438 1.5338 C.3 1 UNL1111111111 -0.2669 9 C 6.0731 0.9124 0.4603 C.3 1 UNL1111111111 -0.2618 10 C -0.4907 -0.3040 -0.5334 C.3 1 UNL1111111111 0.0700 11 O -0.6130 -1.1198 -1.6719 O.3 1 UNL1111111111 -0.5485 12 C -1.6828 -0.5507 0.4260 C.3 1 UNL1111111111 0.1111 13 C -3.0152 -0.1005 -0.2129 C.3 1 UNL1111111111 -0.2333 14 C -4.2186 -0.5207 0.6664 C.3 1 UNL1111111111 -0.0435 15 C -4.3874 0.3993 1.8787 C.3 1 UNL1111111111 -0.4637 16 C -5.5013 -0.5426 -0.1695 C.3 1 UNL1111111111 -0.4635 17 O -1.8348 -1.9415 0.6192 O.3 1 UNL1111111111 -0.5884 18 C -2.9878 1.3870 -0.3996 C.2 1 UNL1111111111 0.6495 19 O -2.2854 2.1991 0.1486 O.2 1 UNL1111111111 -0.5372 20 O -3.8817 1.7845 -1.3416 O.3 1 UNL1111111111 -0.5548 21 H 1.7237 -2.1909 1.1424 H 1 UNL1111111111 0.2538 22 H 1.1309 -2.5666 -0.3363 H 1 UNL1111111111 0.2577 23 H 0.9143 0.0130 1.1136 H 1 UNL1111111111 0.1460 24 H 1.9704 -0.6976 -1.7172 H 1 UNL1111111111 0.1608 25 H 1.8081 0.9419 -1.1138 H 1 UNL1111111111 0.1564 26 H 3.5061 -1.1658 0.3790 H 1 UNL1111111111 0.1239 27 H 4.3461 -0.8819 -1.9748 H 1 UNL1111111111 0.1320 28 H 4.3855 0.8722 -1.7680 H 1 UNL1111111111 0.1422 29 H 3.4674 1.9270 0.4057 H 1 UNL1111111111 0.1427 30 H 2.8087 0.8911 1.6749 H 1 UNL1111111111 0.1304 31 H 6.0013 -1.1843 -0.1184 H 1 UNL1111111111 0.1338 32 H 6.6520 -0.1198 -1.3678 H 1 UNL1111111111 0.1326 33 H 5.0688 -0.0983 2.1050 H 1 UNL1111111111 0.1329 34 H 5.1163 1.6594 2.2670 H 1 UNL1111111111 0.1319 35 H 7.0702 0.8177 0.9271 H 1 UNL1111111111 0.1300 36 H 6.0569 1.9037 -0.0300 H 1 UNL1111111111 0.1371 37 H -0.5103 0.7316 -0.9459 H 1 UNL1111111111 0.1563 38 H -1.0025 -1.9906 -1.4189 H 1 UNL1111111111 0.3343 39 H -1.5198 -0.0656 1.4132 H 1 UNL1111111111 0.1398 40 H -3.1155 -0.6047 -1.2133 H 1 UNL1111111111 0.1982 41 H -4.0164 -1.5630 1.0340 H 1 UNL1111111111 0.1671 42 H -5.1558 0.0140 2.5583 H 1 UNL1111111111 0.1464 43 H -3.4585 0.4858 2.4544 H 1 UNL1111111111 0.1514 44 H -4.6911 1.4115 1.5883 H 1 UNL1111111111 0.1480 45 H -5.6998 0.4308 -0.6364 H 1 UNL1111111111 0.1596 46 H -5.4440 -1.2840 -0.9744 H 1 UNL1111111111 0.1466 47 H -6.3712 -0.7947 0.4462 H 1 UNL1111111111 0.1448 48 H -0.9674 -2.3273 0.9218 H 1 UNL1111111111 0.3612 49 H -3.8855 2.7615 -1.4929 H 1 UNL1111111111 0.3508 @BOND 1 1 2 1 2 1 21 1 3 1 22 1 4 2 3 1 5 2 10 1 6 2 23 1 7 3 4 1 8 3 24 1 9 3 25 1 10 4 5 1 11 4 6 1 12 4 26 1 13 5 7 1 14 5 27 1 15 5 28 1 16 6 8 1 17 6 29 1 18 6 30 1 19 7 9 1 20 7 31 1 21 7 32 1 22 8 9 1 23 8 33 1 24 8 34 1 25 9 35 1 26 9 36 1 27 10 11 1 28 10 12 1 29 10 37 1 30 11 38 1 31 12 13 1 32 12 17 1 33 12 39 1 34 13 14 1 35 13 18 1 36 13 40 1 37 14 15 1 38 14 16 1 39 14 41 1 40 15 42 1 41 15 43 1 42 15 44 1 43 16 45 1 44 16 46 1 45 16 47 1 46 17 48 1 47 18 19 2 48 18 20 1 49 20 49 1