@MOLECULE (2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.9595 0.9507 0.8409 O.3 1 UNL11111111 -0.5183 2 O -2.1736 -1.5595 -1.5027 O.3 1 UNL11111111 -0.5500 3 O -2.3212 -1.7697 0.7202 O.2 1 UNL11111111 -0.4980 4 N -0.8506 2.4818 -0.4265 N.3 1 UNL11111111 -0.6382 5 C -0.8366 1.0135 -0.3506 C.3 1 UNL11111111 0.0379 6 C -0.0109 0.5832 0.8847 C.3 1 UNL11111111 -0.3123 7 C -2.2916 0.4523 -0.2839 C.3 1 UNL11111111 0.0083 8 C 1.3716 0.1805 0.4688 C.ar 1 UNL11111111 0.0090 9 C 1.8104 -1.1312 0.6514 C.ar 1 UNL11111111 -0.1773 10 C 2.2243 1.1267 -0.1058 C.ar 1 UNL11111111 -0.1600 11 C -2.2752 -1.0616 -0.2500 C.2 1 UNL11111111 0.5908 12 C 3.0978 -1.4943 0.2590 C.ar 1 UNL11111111 -0.1413 13 C 3.5088 0.7606 -0.4958 C.ar 1 UNL11111111 -0.1453 14 C 3.9477 -0.5509 -0.3140 C.ar 1 UNL11111111 -0.1621 15 H -0.3520 0.6169 -1.2846 H 1 UNL11111111 0.1648 16 H -0.5101 -0.2359 1.4393 H 1 UNL11111111 0.1569 17 H 0.0535 1.4234 1.6123 H 1 UNL11111111 0.1738 18 H -2.9099 0.8308 -1.1349 H 1 UNL11111111 0.1782 19 H -1.3823 2.8889 0.3301 H 1 UNL11111111 0.2643 20 H -1.2132 2.8199 -1.3029 H 1 UNL11111111 0.2533 21 H 1.1527 -1.8732 1.0996 H 1 UNL11111111 0.1544 22 H 1.8708 2.1497 -0.2510 H 1 UNL11111111 0.1729 23 H -2.6637 0.4943 1.6654 H 1 UNL11111111 0.3345 24 H 3.4384 -2.5177 0.4018 H 1 UNL11111111 0.1473 25 H 4.1713 1.4984 -0.9432 H 1 UNL11111111 0.1468 26 H 4.9518 -0.8356 -0.6184 H 1 UNL11111111 0.1472 27 H -2.1360 -2.5497 -1.5399 H 1 UNL11111111 0.3622 @BOND 1 27 2 1 2 2 11 1 3 20 4 1 4 15 5 1 5 18 7 1 6 25 13 1 7 26 14 1 8 13 14 ar 9 13 10 ar 10 4 5 1 11 4 19 1 12 5 7 1 13 5 6 1 14 14 12 ar 15 7 11 1 16 7 1 1 17 22 10 1 18 11 3 2 19 10 8 ar 20 12 24 1 21 12 9 ar 22 8 9 ar 23 8 6 1 24 9 21 1 25 1 23 1 26 6 16 1 27 6 17 1