@MOLECULE (2S)-2-amino-6-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]amino]hexanoic acid 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 N1 6.1136 1.6233 -1.6531 N.3 1 <1> -0.6235 2 C1 6.3711 1.3515 -0.2348 C.3 1 <1> -0.0006 3 C2 5.7115 0.0298 0.2036 C.3 1 <1> -0.2743 4 C3 4.1843 0.1380 0.1224 C.3 1 <1> -0.2616 5 C4 3.5378 -1.2104 0.4489 C.3 1 <1> -0.2840 6 C5 2.0051 -1.0735 0.4718 C.3 1 <1> -0.1167 7 N2 1.4333 -2.4028 0.8015 N.3 1 <1> -0.5139 8 C6 7.8697 1.2598 0.0415 C.2 1 <1> 0.5718 9 O1 8.7640 1.2908 -0.7612 O.2 1 <1> -0.5128 10 O2 -0.3016 -2.1786 -1.3778 O.2 1 <1> -0.4633 11 C7 -0.8165 -2.2224 -0.2871 C.2 1 <1> 0.3943 12 C8 -0.0219 -2.3570 0.9886 C.3 1 <1> -0.2136 13 C9 -2.3367 -2.1500 -0.1781 C.3 1 <1> 0.0045 14 O3 -2.9440 -2.6074 -1.3578 O.3 1 <1> -0.5271 15 C10 -2.7635 -0.6819 0.0514 C.3 1 <1> 0.0970 16 O4 -2.1568 -0.3230 1.2788 O.3 1 <1> -0.5912 17 C11 -4.2977 -0.5882 0.1608 C.3 1 <1> -0.0414 18 O5 -4.4660 0.8428 0.1778 O.3 1 <1> -0.3652 19 P1 -5.9132 1.5317 0.0709 P.3 1 <1> 0.3581 20 O6 -6.1897 1.6669 -1.4841 O.3 1 <1> -0.2753 21 O7 -7.0172 0.9475 0.8058 O.2 1 <1> -0.2532 22 O8 -5.4259 3.0128 0.4301 O.3 1 <1> -0.3471 23 H1 6.5996 2.4443 -1.9821 H 1 <1> 0.2621 24 H2 6.3575 0.8431 -2.2448 H 1 <1> 0.2619 25 H3 5.9468 2.2048 0.3650 H 1 <1> 0.1775 26 H4 6.0674 -0.8082 -0.4260 H 1 <1> 0.1482 27 H5 6.0192 -0.2123 1.2417 H 1 <1> 0.1592 28 H6 3.8200 0.9192 0.8150 H 1 <1> 0.1380 29 H7 3.8842 0.4754 -0.8918 H 1 <1> 0.1621 30 H8 3.8424 -1.9731 -0.2919 H 1 <1> 0.1407 31 H9 3.8875 -1.5874 1.4303 H 1 <1> 0.1530 32 H10 1.6992 -0.3506 1.2583 H 1 <1> 0.1380 33 H11 1.6353 -0.6782 -0.4988 H 1 <1> 0.1278 34 H12 1.6791 -3.0831 0.0788 H 1 <1> 0.2638 35 O9 8.1151 1.1485 1.3684 O.3 1 <1> -0.5588 36 H13 -0.3193 -3.2938 1.5219 H 1 <1> 0.1734 37 H14 -0.2876 -1.5246 1.6906 H 1 <1> 0.1972 38 H15 -2.7368 -2.8236 0.6128 H 1 <1> 0.1707 39 H16 -2.3741 -2.4098 -2.1427 H 1 <1> 0.3395 40 H17 -2.3688 -0.0037 -0.7382 H 1 <1> 0.1461 41 H18 -2.5623 0.5054 1.6173 H 1 <1> 0.3490 42 H19 -4.7821 -1.0912 -0.7025 H 1 <1> 0.1580 43 H20 -4.6626 -1.0394 1.1049 H 1 <1> 0.1421 44 H21 -5.3919 2.1534 -1.9209 H 1 <1> 0.3118 45 H22 -5.4028 3.1085 1.4499 H 1 <1> 0.3204 46 H23 9.0766 1.0873 1.5954 H 1 <1> 0.3575 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 2 8 1 5 2 25 1 6 3 2 1 7 3 26 1 8 3 27 1 9 4 3 1 10 4 28 1 11 4 29 1 12 5 4 1 13 5 6 1 14 5 30 1 15 5 31 1 16 6 32 1 17 6 33 1 18 7 6 1 19 7 12 1 20 7 34 1 21 8 35 1 22 9 8 2 23 10 11 2 24 11 13 1 25 11 12 1 26 12 36 1 27 12 37 1 28 13 14 1 29 13 38 1 30 14 39 1 31 15 17 1 32 15 13 1 33 15 40 1 34 16 15 1 35 16 41 1 36 17 42 1 37 17 43 1 38 18 17 1 39 19 18 1 40 19 22 1 41 19 20 1 42 20 44 1 43 21 19 2 44 22 45 1 45 35 46 1