@MOLECULE n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide 59 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2756 -3.7024 -0.5101 O.3 1 UNL111111111 -0.3299 2 P -1.5689 -2.4768 0.4697 P.3 1 UNL111111111 0.3614 3 O -1.7676 -3.2261 1.8522 O.3 1 UNL111111111 -0.2667 4 O -0.5806 -1.4131 0.5635 O.2 1 UNL111111111 -0.3183 5 O -3.0360 -2.0960 -0.0621 O.3 1 UNL111111111 -0.3304 6 C -3.6491 -0.8412 0.3018 C.3 1 UNL111111111 -0.0266 7 C -4.1858 -0.2166 -1.0122 C.3 1 UNL111111111 0.0334 8 C -3.1474 -0.2488 -2.1369 C.3 1 UNL111111111 -0.4590 9 C -5.4309 -0.9904 -1.4589 C.3 1 UNL111111111 -0.4527 10 C -4.6062 1.2616 -0.7396 C.3 1 UNL111111111 0.0301 11 O -5.7286 1.2762 0.1041 O.3 1 UNL111111111 -0.5342 12 C -3.4716 2.0476 -0.0686 C.2 1 UNL111111111 0.5246 13 O -3.4672 2.1901 1.1412 O.2 1 UNL111111111 -0.5408 14 N -2.4643 2.5480 -0.8598 N.am 1 UNL111111111 -0.5808 15 C -1.1941 2.9184 -0.2160 C.3 1 UNL111111111 -0.0364 16 C -0.4573 1.6387 0.2159 C.3 1 UNL111111111 -0.4071 17 C 0.9749 1.9296 0.5918 C.2 1 UNL111111111 0.5949 18 O 1.4934 3.0224 0.4731 O.2 1 UNL111111111 -0.5606 19 N 1.6565 0.8457 1.1019 N.am 1 UNL111111111 -0.6001 20 C 3.0830 0.9359 1.4156 C.3 1 UNL111111111 -0.0606 21 C 3.9330 0.3841 0.2545 C.3 1 UNL111111111 -0.3103 22 C 5.4079 0.3151 0.6599 C.3 1 UNL111111111 -0.2690 23 C 6.2752 -0.0868 -0.5401 C.3 1 UNL111111111 -0.2719 24 C 7.7509 -0.1873 -0.1353 C.3 1 UNL111111111 -0.2718 25 C 8.6202 -0.5633 -1.3427 C.3 1 UNL111111111 -0.2528 26 C 10.0867 -0.7070 -0.9363 C.3 1 UNL111111111 -0.4398 27 H -1.3061 -3.3607 -1.4769 H 1 UNL111111111 0.3162 28 H -2.5282 -3.9149 1.7410 H 1 UNL111111111 0.3091 29 H -4.4936 -1.1349 0.9634 H 1 UNL111111111 0.1372 30 H -3.0066 -0.1321 0.8614 H 1 UNL111111111 0.1506 31 H -3.0092 -1.2755 -2.5046 H 1 UNL111111111 0.1618 32 H -3.4635 0.3473 -2.9990 H 1 UNL111111111 0.1370 33 H -2.1624 0.1024 -1.8104 H 1 UNL111111111 0.1540 34 H -6.2612 -0.8576 -0.7509 H 1 UNL111111111 0.1654 35 H -5.7910 -0.6577 -2.4372 H 1 UNL111111111 0.1423 36 H -5.2206 -2.0648 -1.5243 H 1 UNL111111111 0.1539 37 H -4.9732 1.7478 -1.6703 H 1 UNL111111111 0.1561 38 H -5.4540 1.3854 1.0497 H 1 UNL111111111 0.3417 39 H -2.4405 2.3737 -1.8501 H 1 UNL111111111 0.3054 40 H -0.5798 3.5204 -0.9215 H 1 UNL111111111 0.1581 41 H -1.3953 3.5669 0.6704 H 1 UNL111111111 0.1745 42 H -0.9934 1.1727 1.0757 H 1 UNL111111111 0.1971 43 H -0.4792 0.8780 -0.5921 H 1 UNL111111111 0.1754 44 H 1.2322 -0.0720 1.1145 H 1 UNL111111111 0.3284 45 H 3.3549 2.0005 1.6159 H 1 UNL111111111 0.1656 46 H 3.2780 0.3661 2.3511 H 1 UNL111111111 0.1348 47 H 3.5694 -0.6152 -0.0467 H 1 UNL111111111 0.1428 48 H 3.8066 1.0330 -0.6337 H 1 UNL111111111 0.1512 49 H 5.7422 1.2945 1.0529 H 1 UNL111111111 0.1413 50 H 5.5446 -0.4086 1.4854 H 1 UNL111111111 0.1363 51 H 5.9292 -1.0526 -0.9522 H 1 UNL111111111 0.1347 52 H 6.1566 0.6514 -1.3555 H 1 UNL111111111 0.1388 53 H 8.0949 0.7730 0.2919 H 1 UNL111111111 0.1381 54 H 7.8744 -0.9370 0.6677 H 1 UNL111111111 0.1355 55 H 8.2584 -1.5077 -1.7904 H 1 UNL111111111 0.1328 56 H 8.5211 0.2042 -2.1334 H 1 UNL111111111 0.1344 57 H 10.4782 0.2251 -0.5139 H 1 UNL111111111 0.1430 58 H 10.2184 -1.4913 -0.1829 H 1 UNL111111111 0.1419 59 H 10.7135 -0.9677 -1.7961 H 1 UNL111111111 0.1400 @BOND 1 1 27 1 2 2 1 1 3 2 5 1 4 3 2 1 5 3 28 1 6 4 2 2 7 5 6 1 8 6 7 1 9 6 29 1 10 6 30 1 11 7 8 1 12 7 9 1 13 8 31 1 14 8 32 1 15 8 33 1 16 9 34 1 17 9 35 1 18 9 36 1 19 10 12 1 20 10 7 1 21 10 37 1 22 11 10 1 23 11 38 1 24 12 14 am 25 13 12 2 26 14 15 1 27 14 39 1 28 15 16 1 29 15 40 1 30 15 41 1 31 16 17 1 32 16 42 1 33 16 43 1 34 17 19 am 35 18 17 2 36 19 20 1 37 19 44 1 38 20 21 1 39 20 45 1 40 20 46 1 41 21 22 1 42 21 47 1 43 21 48 1 44 22 23 1 45 22 49 1 46 22 50 1 47 23 24 1 48 23 51 1 49 23 52 1 50 24 25 1 51 24 53 1 52 24 54 1 53 25 26 1 54 25 55 1 55 25 56 1 56 26 57 1 57 26 58 1 58 26 59 1