@MOLECULE (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoic acid 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.6016 1.6371 -0.5833 N.3 0 UNK0 -0.6477 2 C -1.7692 0.1733 -0.5409 C.3 0 UNK0 0.0230 3 C -0.5553 -0.5874 -1.1550 C.3 0 UNK0 0.0906 4 O -0.8302 -1.9651 -1.2598 O.3 0 UNK0 -0.5541 5 C -3.0628 -0.2318 -1.2853 C.3 0 UNK0 -0.3158 6 C -4.2346 -0.2950 -0.3544 C.ar 0 UNK0 0.0160 7 C -4.5439 0.7966 0.4617 C.ar 0 UNK0 -0.1624 8 C -5.0322 -1.4398 -0.3096 C.ar 0 UNK0 -0.1879 9 C -5.6399 0.7408 1.3166 C.ar 0 UNK0 -0.1454 10 C -6.1309 -1.4921 0.5465 C.ar 0 UNK0 -0.1447 11 C -6.4363 -0.4035 1.3603 C.ar 0 UNK0 -0.1684 12 C 0.7228 -0.4270 -0.2956 C.3 0 UNK0 -0.1742 13 N 1.4000 0.8130 -0.7281 N.3 1 PHE1 -0.5469 14 CA 2.3003 1.3800 0.2889 C.3 1 PHE1 -0.0010 15 C 2.0858 2.8869 0.1730 C.2 1 PHE1 0.6175 16 O 1.0544 3.4917 0.2618 O.2 1 PHE1 -0.4774 17 CB 3.7820 0.9910 0.1124 C.3 1 PHE1 -0.3278 18 CG 3.9432 -0.4868 0.2829 C.ar 1 PHE1 0.0083 19 CD1 4.0788 -1.3137 -0.8341 C.ar 1 PHE1 -0.1804 20 CD2 3.9313 -1.0453 1.5631 C.ar 1 PHE1 -0.1798 21 CE1 4.1840 -2.6934 -0.6713 C.ar 1 PHE1 -0.1322 22 CE2 4.0376 -2.4246 1.7222 C.ar 1 PHE1 -0.1343 23 CZ 4.1589 -3.2508 0.6057 C.ar 1 PHE1 -0.1594 24 OXT 3.2631 3.5366 -0.0176 O.3 1 PHE1 -0.5709 25 H -0.6930 1.9294 -0.2389 H 0 UNK0 0.2844 26 H -1.8615 -0.1089 0.5416 H 0 UNK0 0.1474 27 H -0.3807 -0.2923 -2.2122 H 0 UNK0 0.1492 28 H -1.1624 -2.3304 -0.4159 H 0 UNK0 0.3180 29 H -3.2822 0.4910 -2.0999 H 0 UNK0 0.1610 30 H -2.9156 -1.2034 -1.8042 H 0 UNK0 0.1677 31 H -3.9119 1.6899 0.4271 H 0 UNK0 0.1859 32 H -4.8015 -2.2927 -0.9432 H 0 UNK0 0.1490 33 H -5.8757 1.5917 1.9518 H 0 UNK0 0.1463 34 H -6.7509 -2.3850 0.5779 H 0 UNK0 0.1441 35 H -7.2934 -0.4452 2.0270 H 0 UNK0 0.1447 36 H 0.4601 -0.3696 0.7810 H 0 UNK0 0.1476 37 H 1.3626 -1.3313 -0.4153 H 0 UNK0 0.1485 38 H 1.8817 0.6760 -1.6169 H 1 PHE1 0.2717 39 HA 1.9610 1.0857 1.3224 H 1 PHE1 0.1729 40 HB1 4.1587 1.3353 -0.8732 H 1 PHE1 0.1708 41 HB2 4.4085 1.5458 0.8451 H 1 PHE1 0.1785 42 HD1 4.1053 -0.8848 -1.8334 H 1 PHE1 0.1523 43 HD2 3.8423 -0.4038 2.4373 H 1 PHE1 0.1533 44 HE1 4.2849 -3.3371 -1.5441 H 1 PHE1 0.1538 45 HE2 4.0266 -2.8588 2.7205 H 1 PHE1 0.1509 46 HZ 4.2372 -4.3290 0.7312 H 1 PHE1 0.1544 47 HXT 3.1678 4.5170 -0.1005 H 1 PHE1 0.3569 48 H -1.7040 2.0041 -1.5164 H 0 UNK0 0.2461 @BOND 1 1 2 1 2 1 25 1 3 1 48 1 4 2 3 1 5 2 5 1 6 2 26 1 7 3 4 1 8 3 12 1 9 3 27 1 10 4 28 1 11 5 6 1 12 5 29 1 13 5 30 1 14 6 7 ar 15 6 8 ar 16 7 9 ar 17 7 31 1 18 8 10 ar 19 8 32 1 20 9 11 ar 21 9 33 1 22 10 11 ar 23 10 34 1 24 11 35 1 25 12 36 1 26 12 37 1 27 12 13 1 28 13 14 1 29 13 38 1 30 14 15 1 31 14 17 1 32 14 39 1 33 15 16 2 34 15 24 1 35 17 18 1 36 17 40 1 37 17 41 1 38 18 19 ar 39 18 20 ar 40 19 21 ar 41 19 42 1 42 20 22 ar 43 20 43 1 44 21 23 ar 45 21 44 1 46 22 23 ar 47 22 45 1 48 23 46 1 49 24 47 1