@MOLECULE (1r,5r)-2-acetamido-1,5-anhydro-2,4-dideoxy-5-phosphono-1-[(1r,2r)-1,2,3-trihydroxypropyl]-l-threo-pentitol 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 P 3.0302 -1.1218 -0.0783 P.3 1 UNL1111 0.2826 2 C 1.2821 -1.2353 0.5765 C.3 1 UNL1111 0.1466 3 C 0.4077 -2.4071 0.1101 C.3 1 UNL1111 -0.3363 4 C -1.0456 -2.1105 0.5315 C.3 1 UNL1111 0.1438 5 C -1.4907 -0.7359 -0.0380 C.3 1 UNL1111 -0.0251 6 C -0.4720 0.3528 0.3683 C.3 1 UNL1111 -0.0062 7 C -0.6877 1.6607 -0.4265 C.3 1 UNL1111 0.1059 8 C 0.1050 2.8016 0.2509 C.3 1 UNL1111 0.0865 9 C 0.0895 4.0624 -0.6207 C.3 1 UNL1111 -0.0540 10 C -3.9633 -0.8657 -0.0749 C.2 1 UNL1111 0.6252 11 C -5.2577 -0.2848 0.4094 C.3 1 UNL1111 -0.5266 12 N -2.8110 -0.3473 0.4801 N.am 1 UNL1111 -0.6252 13 O 3.2998 -0.3725 -1.2993 O.2 1 UNL1111 -0.2541 14 O 3.7070 -0.5688 1.2718 O.3 1 UNL1111 -0.4553 15 O 3.6151 -2.6075 -0.2057 O.3 1 UNL1111 -0.3686 16 O -1.8017 -3.1688 0.0013 O.3 1 UNL1111 -0.5941 17 O 0.8430 -0.0237 -0.0095 O.3 1 UNL1111 -0.3385 18 O -0.2827 1.5360 -1.7627 O.3 1 UNL1111 -0.5455 19 O -0.6003 3.0260 1.4607 O.3 1 UNL1111 -0.5891 20 O 0.9004 4.9875 0.0896 O.3 1 UNL1111 -0.5707 21 O -3.8989 -1.7514 -0.9115 O.2 1 UNL1111 -0.5622 22 H 1.2740 -1.1522 1.7064 H 1 UNL1111 0.1575 23 H 0.7214 -3.3801 0.5387 H 1 UNL1111 0.1699 24 H 0.4250 -2.5666 -0.9921 H 1 UNL1111 0.1875 25 H -1.1820 -2.1597 1.6334 H 1 UNL1111 0.1249 26 H -1.5384 -0.8105 -1.1623 H 1 UNL1111 0.1903 27 H -0.4965 0.5468 1.4654 H 1 UNL1111 0.1495 28 H -1.7689 1.9186 -0.5034 H 1 UNL1111 0.1555 29 H 1.1461 2.5027 0.5121 H 1 UNL1111 0.1599 30 H 0.5036 3.8645 -1.6254 H 1 UNL1111 0.1434 31 H -0.9222 4.4961 -0.7081 H 1 UNL1111 0.1321 32 H -6.0781 -0.5751 -0.2707 H 1 UNL1111 0.1939 33 H -5.5207 -0.6697 1.4054 H 1 UNL1111 0.1804 34 H -5.2465 0.8112 0.4572 H 1 UNL1111 0.1738 35 H -2.8368 0.3679 1.1895 H 1 UNL1111 0.3170 36 H 4.6182 -0.1702 1.0736 H 1 UNL1111 0.3348 37 H 3.6500 -3.0574 0.7080 H 1 UNL1111 0.3062 38 H -2.5986 -2.8411 -0.4807 H 1 UNL1111 0.3657 39 H 0.5885 1.0698 -1.8216 H 1 UNL1111 0.3512 40 H -0.3314 3.8903 1.8412 H 1 UNL1111 0.3449 41 H 1.2317 5.6848 -0.5054 H 1 UNL1111 0.3224 @BOND 1 1 2 1 2 1 13 2 3 1 14 1 4 1 15 1 5 2 3 1 6 2 17 1 7 2 22 1 8 3 4 1 9 3 23 1 10 3 24 1 11 4 5 1 12 4 16 1 13 4 25 1 14 5 6 1 15 5 12 1 16 5 26 1 17 6 7 1 18 6 17 1 19 6 27 1 20 7 8 1 21 7 18 1 22 7 28 1 23 8 9 1 24 8 19 1 25 8 29 1 26 9 20 1 27 9 30 1 28 9 31 1 29 10 11 1 30 10 12 am 31 10 21 2 32 11 32 1 33 11 33 1 34 11 34 1 35 12 35 1 36 14 36 1 37 15 37 1 38 16 38 1 39 18 39 1 40 19 40 1 41 20 41 1