@MOLECULE glycyl-l-prolyl-n-2-naphthyl-l-isoleucinamide 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8305 -0.6606 0.7240 O.2 1 UNL1111111111 -0.5136 2 O 5.1223 0.4944 0.7412 O.2 1 UNL1111111111 -0.5221 3 O -0.8628 0.4587 -1.8685 O.2 1 UNL1111111111 -0.5060 4 N 4.4148 -1.3983 -0.2222 N.am 1 UNL1111111111 -0.5153 5 N 1.6642 0.9515 -0.8545 N.am 1 UNL1111111111 -0.5906 6 N -1.8050 0.8209 0.1863 N.am 1 UNL1111111111 -0.5686 7 N 6.9354 -0.7180 2.4453 N.3 1 UNL1111111111 -0.6198 8 C 3.4651 -0.6916 -1.0859 C.3 1 UNL1111111111 0.0272 9 C 2.9735 -1.7590 -2.0890 C.3 1 UNL1111111111 -0.2817 10 C 3.1267 -3.0949 -1.3413 C.3 1 UNL1111111111 -0.2738 11 C 4.2337 -2.8567 -0.2892 C.3 1 UNL1111111111 -0.0533 12 C 2.2544 -0.1680 -0.2971 C.2 1 UNL1111111111 0.5574 13 C 0.5123 1.5578 -0.2033 C.3 1 UNL1111111111 -0.0014 14 C 0.4297 3.0846 -0.4590 C.3 1 UNL1111111111 -0.0990 15 C 5.1755 -0.7182 0.7116 C.2 1 UNL1111111111 0.5766 16 C 1.6754 3.7972 0.0976 C.3 1 UNL1111111111 -0.2562 17 C 0.2715 3.4120 -1.9459 C.3 1 UNL1111111111 -0.4609 18 C -0.7698 0.8838 -0.7432 C.2 1 UNL1111111111 0.5598 19 C 6.1275 -1.5637 1.5476 C.3 1 UNL1111111111 -0.1821 20 C 1.8858 3.5432 1.5885 C.3 1 UNL1111111111 -0.4431 21 C -3.0715 0.2283 -0.0119 C.ar 1 UNL1111111111 0.2440 22 C -3.9512 0.2580 1.0569 C.ar 1 UNL1111111111 -0.2947 23 C -3.4561 -0.3806 -1.2403 C.ar 1 UNL1111111111 -0.2064 24 C -5.2393 -0.3129 0.9365 C.ar 1 UNL1111111111 0.0492 25 C -5.6260 -0.9166 -0.2810 C.ar 1 UNL1111111111 -0.0568 26 C -4.7014 -0.9372 -1.3619 C.ar 1 UNL1111111111 -0.1103 27 C -6.1574 -0.2901 2.0237 C.ar 1 UNL1111111111 -0.1761 28 C -6.9233 -1.4849 -0.3937 C.ar 1 UNL1111111111 -0.1283 29 C -7.4026 -0.8460 1.8896 C.ar 1 UNL1111111111 -0.1271 30 C -7.7918 -1.4502 0.6672 C.ar 1 UNL1111111111 -0.1708 31 H 3.9958 0.1622 -1.5807 H 1 UNL1111111111 0.1664 32 H 1.9313 -1.5848 -2.4097 H 1 UNL1111111111 0.1639 33 H 3.5914 -1.7429 -3.0039 H 1 UNL1111111111 0.1504 34 H 3.3779 -3.9210 -2.0223 H 1 UNL1111111111 0.1436 35 H 2.1755 -3.3732 -0.8444 H 1 UNL1111111111 0.1604 36 H 5.1904 -3.3261 -0.5970 H 1 UNL1111111111 0.1296 37 H 3.9409 -3.2711 0.6986 H 1 UNL1111111111 0.1411 38 H 0.6007 1.3710 0.9054 H 1 UNL1111111111 0.1839 39 H -0.4720 3.4630 0.0852 H 1 UNL1111111111 0.1417 40 H 1.9303 1.3266 -1.7482 H 1 UNL1111111111 0.3197 41 H 2.5789 3.4784 -0.4600 H 1 UNL1111111111 0.1481 42 H 1.5796 4.8842 -0.0876 H 1 UNL1111111111 0.1351 43 H 1.1519 3.1322 -2.5340 H 1 UNL1111111111 0.1444 44 H -0.5890 2.8916 -2.3888 H 1 UNL1111111111 0.1648 45 H 0.1114 4.4857 -2.0996 H 1 UNL1111111111 0.1479 46 H 6.7432 -2.1990 0.8741 H 1 UNL1111111111 0.1324 47 H 5.5236 -2.2483 2.2052 H 1 UNL1111111111 0.1750 48 H 0.9800 3.7297 2.1720 H 1 UNL1111111111 0.1366 49 H 2.6757 4.1924 1.9858 H 1 UNL1111111111 0.1463 50 H 2.2143 2.5114 1.7826 H 1 UNL1111111111 0.1628 51 H -1.6296 1.1681 1.1284 H 1 UNL1111111111 0.3154 52 H 7.1470 0.1844 2.0475 H 1 UNL1111111111 0.2704 53 H 7.7917 -1.1757 2.7105 H 1 UNL1111111111 0.2474 54 H -3.6763 0.7140 2.0064 H 1 UNL1111111111 0.1622 55 H -2.7562 -0.4066 -2.0798 H 1 UNL1111111111 0.1988 56 H -5.0026 -1.4094 -2.2981 H 1 UNL1111111111 0.1550 57 H -5.8489 0.1752 2.9570 H 1 UNL1111111111 0.1528 58 H -7.2112 -1.9477 -1.3384 H 1 UNL1111111111 0.1505 59 H -8.1079 -0.8322 2.7183 H 1 UNL1111111111 0.1478 60 H -8.7853 -1.8852 0.5892 H 1 UNL1111111111 0.1493 @BOND 1 1 12 2 2 2 15 2 3 3 18 2 4 4 8 1 5 4 11 1 6 4 15 am 7 5 12 am 8 5 13 1 9 5 40 1 10 6 18 am 11 6 21 1 12 6 51 1 13 7 19 1 14 7 52 1 15 7 53 1 16 8 9 1 17 8 12 1 18 8 31 1 19 9 10 1 20 9 32 1 21 9 33 1 22 10 11 1 23 10 34 1 24 10 35 1 25 11 36 1 26 11 37 1 27 13 14 1 28 13 18 1 29 13 38 1 30 14 16 1 31 14 17 1 32 14 39 1 33 15 19 1 34 16 20 1 35 16 41 1 36 16 42 1 37 17 43 1 38 17 44 1 39 17 45 1 40 19 46 1 41 19 47 1 42 20 48 1 43 20 49 1 44 20 50 1 45 21 22 ar 46 21 23 ar 47 22 24 ar 48 22 54 1 49 23 26 ar 50 23 55 1 51 24 25 ar 52 24 27 ar 53 25 26 ar 54 25 28 ar 55 26 56 1 56 27 29 ar 57 27 57 1 58 28 30 ar 59 28 58 1 60 29 30 ar 61 29 59 1 62 30 60 1