@MOLECULE n-phosphonoalanyl-l-proline 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 P -3.0141 -0.5609 -0.5700 P.3 1 UNL111 0.3207 2 O 0.6415 2.1684 0.3151 O.2 1 UNL111 -0.5408 3 O 3.4793 0.3231 -1.8349 O.3 1 UNL111 -0.5719 4 O 1.3848 -0.4274 -1.9725 O.2 1 UNL111 -0.4967 5 O -4.2032 0.2969 -1.2127 O.3 1 UNL111 -0.3758 6 O -2.4216 -1.3135 -1.8503 O.3 1 UNL111 -0.3680 7 O -3.3692 -1.4661 0.5105 O.2 1 UNL111 -0.2775 8 N 1.0503 0.0267 0.8255 N.am 1 UNL111 -0.5023 9 N -1.8726 0.6551 -0.2933 N.3 1 UNL111 -0.4472 10 C 2.3860 0.0829 0.2316 C.3 1 UNL111 0.0367 11 C 3.1256 -1.1471 0.8008 C.3 1 UNL111 -0.2815 12 C 2.0219 -2.1259 1.2495 C.3 1 UNL111 -0.2838 13 C 0.6782 -1.3725 1.0972 C.3 1 UNL111 -0.0511 14 C 0.1954 1.1040 0.6927 C.2 1 UNL111 0.5646 15 C -1.2979 0.9233 1.0566 C.3 1 UNL111 0.0572 16 C 2.2929 -0.0454 -1.2871 C.2 1 UNL111 0.6102 17 C -1.8061 2.2190 1.6903 C.3 1 UNL111 -0.4792 18 H 2.8864 1.0545 0.4919 H 1 UNL111 0.1932 19 H 3.7595 -0.8490 1.6547 H 1 UNL111 0.1550 20 H 3.8069 -1.5994 0.0615 H 1 UNL111 0.1566 21 H 2.0266 -3.0421 0.6365 H 1 UNL111 0.1476 22 H 2.1808 -2.4474 2.2911 H 1 UNL111 0.1444 23 H 0.0877 -1.7997 0.2565 H 1 UNL111 0.1585 24 H 0.0627 -1.4313 2.0167 H 1 UNL111 0.1431 25 H -1.4300 0.0788 1.7841 H 1 UNL111 0.1640 26 H -1.6360 3.0862 1.0346 H 1 UNL111 0.1720 27 H -2.8793 2.1672 1.9117 H 1 UNL111 0.1630 28 H -1.2821 2.4319 2.6299 H 1 UNL111 0.1579 29 H -2.0816 1.5602 -0.7899 H 1 UNL111 0.3098 30 H 3.4907 0.3046 -2.8225 H 1 UNL111 0.3578 31 H -4.7752 -0.3189 -1.7965 H 1 UNL111 0.3249 32 H -1.4404 -1.0289 -1.9838 H 1 UNL111 0.3384 @BOND 1 1 5 1 2 1 6 1 3 1 7 2 4 1 9 1 5 2 14 2 6 3 16 1 7 3 30 1 8 4 16 2 9 5 31 1 10 6 32 1 11 8 10 1 12 8 13 1 13 8 14 am 14 9 15 1 15 9 29 1 16 10 11 1 17 10 16 1 18 10 18 1 19 11 12 1 20 11 19 1 21 11 20 1 22 12 13 1 23 12 21 1 24 12 22 1 25 13 23 1 26 13 24 1 27 14 15 1 28 15 17 1 29 15 25 1 30 17 26 1 31 17 27 1 32 17 28 1