@MOLECULE (2R)-2-(aminomethyl)-2-hydroxy-4-phenyl-butanoic acid 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0355 1.3790 0.9067 O.3 1 UNL111111111 -0.5370 2 O -2.8216 -1.1482 1.4675 O.2 1 UNL111111111 -0.4546 3 N -4.0826 0.8514 -0.9415 N.3 1 UNL111111111 -0.6366 4 C -1.7850 0.4467 -0.1217 C.3 1 UNL111111111 0.2182 5 C -2.6564 0.8527 -1.3354 C.3 1 UNL111111111 -0.1474 6 C -0.3012 0.3717 -0.4901 C.3 1 UNL111111111 -0.3272 7 C 2.0096 0.0080 0.3344 C.ar 1 UNL111111111 0.0147 8 C 2.8046 1.1307 0.5697 C.ar 1 UNL111111111 -0.1798 9 C 4.1476 1.1233 0.1987 C.ar 1 UNL111111111 -0.1377 10 C 4.7005 -0.0023 -0.4089 C.ar 1 UNL111111111 -0.1616 11 C 3.9066 -1.1239 -0.6446 C.ar 1 UNL111111111 -0.1380 12 C 2.5642 -1.1202 -0.2748 C.ar 1 UNL111111111 -0.1737 13 C -2.2808 -0.8886 0.4333 C.2 1 UNL111111111 0.6205 14 C 0.5634 0.0100 0.7257 C.3 1 UNL111111111 -0.2824 15 H -1.3218 2.0465 0.9682 H 1 UNL111111111 0.3262 16 H -4.1998 1.1894 0.0055 H 1 UNL111111111 0.2692 17 H -4.6389 1.4163 -1.5611 H 1 UNL111111111 0.2496 18 H -2.5357 0.1023 -2.1531 H 1 UNL111111111 0.1666 19 H -2.3123 1.8329 -1.7250 H 1 UNL111111111 0.1224 20 H -0.1517 -0.3862 -1.2909 H 1 UNL111111111 0.1804 21 H 0.0380 1.3312 -0.9265 H 1 UNL111111111 0.1548 22 H 2.3804 2.0113 1.0461 H 1 UNL111111111 0.1503 23 H 4.7666 1.9987 0.3856 H 1 UNL111111111 0.1488 24 H 5.7495 -0.0067 -0.6966 H 1 UNL111111111 0.1508 25 H 4.3376 -2.0047 -1.1170 H 1 UNL111111111 0.1494 26 H 1.9469 -1.9976 -0.4595 H 1 UNL111111111 0.1563 27 O -1.9820 -1.8667 -0.4701 O.3 1 UNL111111111 -0.5786 28 H 0.3756 0.7109 1.5647 H 1 UNL111111111 0.1559 29 H 0.2686 -0.9861 1.1228 H 1 UNL111111111 0.1646 30 H -2.3452 -2.7507 -0.2242 H 1 UNL111111111 0.3559 @BOND 1 1 4 1 2 1 15 1 3 2 13 2 4 3 5 1 5 3 16 1 6 3 17 1 7 4 5 1 8 4 6 1 9 4 13 1 10 5 18 1 11 5 19 1 12 6 14 1 13 6 20 1 14 6 21 1 15 7 8 ar 16 7 12 ar 17 7 14 1 18 8 9 ar 19 8 22 1 20 9 10 ar 21 9 23 1 22 10 11 ar 23 10 24 1 24 11 12 ar 25 11 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 27 30 1