@MOLECULE (4s)-4-(5-phenylpentyl)-l-glutamic acid 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8107 -1.5378 -1.7028 O.3 1 UNL111111111 -0.5610 2 O 2.9296 -2.6856 -0.1602 O.2 1 UNL111111111 -0.5086 3 O 4.3088 1.2807 -1.7582 O.3 1 UNL111111111 -0.5578 4 OXT 5.2595 2.4636 -0.1220 O.2 1 UNL111111111 -0.5086 5 N 6.1793 -0.0226 0.9989 N.3 1 UNL111111111 -0.6254 6 C 2.4532 -0.3087 0.1998 C.3 1 UNL111111111 -0.1836 7 C 1.2198 -0.2567 1.1195 C.3 1 UNL111111111 -0.2713 8 C -0.0726 -0.0910 0.3123 C.3 1 UNL111111111 -0.2743 9 C 3.7370 -0.1650 1.0240 C.3 1 UNL111111111 -0.2910 10 C -1.2946 -0.1313 1.2373 C.3 1 UNL111111111 -0.2711 11 C -2.5838 0.0323 0.4248 C.3 1 UNL111111111 -0.2594 12 CA 4.9884 0.0405 0.1468 C.3 1 UNL111111111 0.0040 13 C -3.8157 -0.0165 1.3429 C.3 1 UNL111111111 -0.2947 14 C 2.4584 -1.6371 -0.5119 C.2 1 UNL111111111 0.6351 15 C -5.0590 0.1428 0.5220 C.ar 1 UNL111111111 0.0210 16 C 4.8863 1.4009 -0.5405 C.2 1 UNL111111111 0.5729 17 C -5.5861 1.4145 0.2874 C.ar 1 UNL111111111 -0.1824 18 C -5.6838 -0.9788 -0.0275 C.ar 1 UNL111111111 -0.1816 19 C -6.7310 1.5622 -0.4916 C.ar 1 UNL111111111 -0.1337 20 C -6.8291 -0.8274 -0.8058 C.ar 1 UNL111111111 -0.1336 21 C -7.3545 0.4423 -1.0392 C.ar 1 UNL111111111 -0.1668 22 H 2.3825 0.5176 -0.5580 H 1 UNL111111111 0.1894 23 H 1.3219 0.5862 1.8313 H 1 UNL111111111 0.1493 24 H 1.1706 -1.1704 1.7444 H 1 UNL111111111 0.1516 25 H -0.1532 -0.8847 -0.4574 H 1 UNL111111111 0.1535 26 H -0.0521 0.8617 -0.2507 H 1 UNL111111111 0.1438 27 H 3.8978 -1.0778 1.6468 H 1 UNL111111111 0.1930 28 H 3.6383 0.6683 1.7476 H 1 UNL111111111 0.1599 29 H -1.3180 -1.0860 1.7960 H 1 UNL111111111 0.1382 30 H -1.2228 0.6667 1.9997 H 1 UNL111111111 0.1362 31 H -2.6570 -0.7610 -0.3437 H 1 UNL111111111 0.1439 32 H -2.5685 0.9882 -0.1326 H 1 UNL111111111 0.1422 33 HA 5.0523 -0.7777 -0.6240 H 1 UNL111111111 0.1852 34 H -3.8335 -0.9710 1.9056 H 1 UNL111111111 0.1499 35 H -3.7467 0.7756 2.1148 H 1 UNL111111111 0.1486 36 H1 7.0359 -0.0555 0.4704 H 1 UNL111111111 0.2622 37 H2 6.2235 0.7350 1.6647 H 1 UNL111111111 0.2673 38 H -5.1011 2.2906 0.7116 H 1 UNL111111111 0.1512 39 H -5.2749 -1.9707 0.1506 H 1 UNL111111111 0.1520 40 H 1.7878 -2.3820 -2.2151 H 1 UNL111111111 0.3521 41 H -7.1394 2.5545 -0.6728 H 1 UNL111111111 0.1476 42 H -7.3143 -1.7031 -1.2324 H 1 UNL111111111 0.1477 43 H 4.2186 2.1327 -2.2531 H 1 UNL111111111 0.3579 44 H -8.2489 0.5589 -1.6463 H 1 UNL111111111 0.1491 @BOND 1 1 14 1 2 1 40 1 3 2 14 2 4 3 16 1 5 3 43 1 6 4 16 2 7 5 12 1 8 5 36 1 9 5 37 1 10 6 7 1 11 6 9 1 12 6 14 1 13 6 22 1 14 7 8 1 15 7 23 1 16 7 24 1 17 8 10 1 18 8 25 1 19 8 26 1 20 9 12 1 21 9 27 1 22 9 28 1 23 10 11 1 24 10 29 1 25 10 30 1 26 11 13 1 27 11 31 1 28 11 32 1 29 12 16 1 30 12 33 1 31 13 15 1 32 13 34 1 33 13 35 1 34 15 17 ar 35 15 18 ar 36 17 19 ar 37 17 38 1 38 18 20 ar 39 18 39 1 40 19 21 ar 41 19 41 1 42 20 21 ar 43 20 42 1 44 21 44 1