@MOLECULE n-[(2e)-3-(2-furyl)-2-propenoyl]-l-phenylalanylglycylglycine 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1494 -0.9265 1.8362 O.2 1 PHE1111111111 -0.5183 2 O 0.8074 0.4483 -1.3394 O.2 0 UNK0 -0.5183 3 O -3.2813 -0.2503 -1.2213 O.2 2 GLY2 -0.4883 4 O 3.5362 4.0821 0.7969 O.2 0 UNK0 -0.1724 5 O -5.5078 1.2583 1.1559 O.3 3 GLY3 -0.5551 6 OXT -6.7548 2.4362 -0.2760 O.2 3 GLY3 -0.4936 7 N 1.3312 -0.4085 0.6832 N.am 1 PHE1 -0.5906 8 N -1.7828 -2.1643 0.0349 N.am 2 GLY2 -0.5621 9 N -5.2529 -0.8720 -0.2989 N.am 3 GLY3 -0.5765 10 CA 0.6226 -1.6411 0.3636 C.3 1 PHE1 0.0302 11 CB 1.2112 -2.8446 1.1322 C.3 1 PHE1 -0.3114 12 CG 2.4157 -3.3774 0.4192 C.ar 1 PHE1 0.0132 13 C -0.8454 -1.4875 0.8074 C.2 1 PHE1 0.5428 14 CD1 2.2746 -4.4098 -0.5107 C.ar 1 PHE1 -0.1731 15 CD2 3.6778 -2.8374 0.6732 C.ar 1 PHE1 -0.1557 16 CA -3.1892 -2.0357 0.3965 C.3 2 GLY2 -0.1683 17 C 1.3235 0.6212 -0.2533 C.2 0 UNK0 0.5933 18 CE1 3.3940 -4.9069 -1.1743 C.ar 1 PHE1 -0.1380 19 CE2 4.7957 -3.3371 0.0096 C.ar 1 PHE1 -0.1396 20 CZ 4.6556 -4.3753 -0.9108 C.ar 1 PHE1 -0.1598 21 C -3.8679 -0.9451 -0.4245 C.2 2 GLY2 0.5487 22 C 2.0555 1.8436 0.1420 C.2 0 UNK0 -0.2684 23 C 2.1175 2.8812 -0.7075 C.2 0 UNK0 -0.0508 24 CA -5.9228 0.2503 -0.9462 C.3 3 GLY3 -0.1418 25 C 2.8400 4.0851 -0.4107 C.ar 0 UNK0 0.0619 26 C 3.0217 5.2863 -1.0532 C.ar 0 UNK0 -0.1896 27 C -6.1243 1.4426 -0.0361 C.2 3 GLY3 0.6078 28 C 3.8712 6.0790 -0.2068 C.ar 0 UNK0 -0.2436 29 C 4.1529 5.3067 0.8897 C.ar 0 UNK0 -0.0013 30 HA 0.6933 -1.8173 -0.7506 H 1 PHE1 0.1906 31 HB1 1.4620 -2.5547 2.1750 H 1 PHE1 0.1660 32 HB2 0.4368 -3.6361 1.2338 H 1 PHE1 0.1661 33 H 1.5569 -0.2451 1.6525 H 1 PHE1 0.3186 34 H -1.6022 -2.3229 -0.9514 H 2 GLY2 0.3199 35 HD1 1.2929 -4.8297 -0.7168 H 1 PHE1 0.1503 36 HD2 3.7874 -2.0202 1.3836 H 1 PHE1 0.1543 37 HA1 -3.2756 -1.8011 1.4882 H 2 GLY2 0.1968 38 HA2 -3.6943 -3.0188 0.2431 H 2 GLY2 0.1663 39 HE1 3.2830 -5.7100 -1.9002 H 1 PHE1 0.1465 40 HE2 5.7800 -2.9155 0.2051 H 1 PHE1 0.1486 41 HZ 5.5299 -4.7682 -1.4248 H 1 PHE1 0.1490 42 H 2.5405 1.8483 1.1167 H 0 UNK0 0.1726 43 H -5.7258 -1.2683 0.5022 H 3 GLY3 0.3112 44 H 1.6142 2.8550 -1.6864 H 0 UNK0 0.1924 45 HA1 -5.3280 0.5915 -1.8447 H 3 GLY3 0.2151 46 HA2 -6.9165 -0.0828 -1.3333 H 3 GLY3 0.1771 47 H 2.6195 5.5988 -1.9954 H 0 UNK0 0.1736 48 H 4.1933 7.0784 -0.4172 H 0 UNK0 0.1714 49 H 4.7344 5.4249 1.7753 H 0 UNK0 0.1701 50 H -5.5573 2.0398 1.7605 H 3 GLY3 0.3622 @BOND 1 1 13 2 2 2 17 2 3 3 21 2 4 4 25 ar 5 4 29 ar 6 5 27 1 7 5 50 1 8 6 27 2 9 7 10 1 10 7 17 am 11 7 33 1 12 8 13 am 13 8 16 1 14 8 34 1 15 9 21 am 16 9 24 1 17 9 43 1 18 10 11 1 19 10 13 1 20 10 30 1 21 11 12 1 22 11 31 1 23 11 32 1 24 12 14 ar 25 12 15 ar 26 14 18 ar 27 14 35 1 28 15 19 ar 29 15 36 1 30 16 21 1 31 16 37 1 32 16 38 1 33 17 22 1 34 18 20 ar 35 18 39 1 36 19 20 ar 37 19 40 1 38 20 41 1 39 22 23 2 40 22 42 1 41 23 25 1 42 23 44 1 43 24 27 1 44 24 45 1 45 24 46 1 46 25 26 ar 47 26 28 ar 48 26 47 1 49 28 29 ar 50 28 48 1 51 29 49 1