@MOLECULE (1r,3s,4r)-2-{n-[(1s)-1-carboxy-3-phenylpropyl]-l-alanyl}-2-azabicyclo[2.2.2]octane-3-carboxylic acid 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8333 -2.3877 -1.1518 O.3 1 UNL1111111111 -0.5816 2 O -1.6460 -0.2873 -2.2457 O.2 1 UNL1111111111 -0.4984 3 OXT -4.8663 -0.1720 -1.3840 O.2 1 UNL1111111111 -0.4844 4 O 1.2299 1.5682 2.1314 O.3 1 UNL1111111111 -0.5751 5 OXT 1.3058 3.3354 0.7741 O.2 1 UNL1111111111 -0.5062 6 N -2.3155 0.0070 -0.1378 N.am 1 UNL1111111111 -0.5454 7 N 0.4657 1.6187 -1.3914 N.3 1 UNL1111111111 -0.5344 8 C -3.3172 -1.7584 1.2534 C.3 1 UNL1111111111 -0.1095 9 C -2.2965 0.5985 1.2082 C.3 1 UNL1111111111 0.1213 10 CA -3.0003 -1.2890 -0.1926 C.3 1 UNL1111111111 0.0282 11 C -4.2930 -0.7645 1.9115 C.3 1 UNL1111111111 -0.2763 12 C -1.9977 -1.7598 2.0472 C.3 1 UNL1111111111 -0.2656 13 C -3.7538 0.6657 1.7286 C.3 1 UNL1111111111 -0.2981 14 C -1.4707 -0.3170 2.1492 C.3 1 UNL1111111111 -0.3053 15 C -1.6462 0.4368 -1.2745 C.2 1 UNL1111111111 0.5665 16 C -4.3016 -1.1456 -0.9720 C.2 1 UNL1111111111 0.6174 17 CA -0.9913 1.8283 -1.2640 C.3 1 UNL1111111111 0.0021 18 CB -1.5105 2.5769 -2.4941 C.3 1 UNL1111111111 -0.4497 19 CA 1.1026 1.0837 -0.1884 C.3 1 UNL1111111111 -0.0080 20 C 2.5161 0.5909 -0.5573 C.3 1 UNL1111111111 -0.2693 21 C 1.2311 2.1430 0.9017 C.2 1 UNL1111111111 0.5799 22 C 3.0315 -0.4130 0.4811 C.3 1 UNL1111111111 -0.2911 23 C 4.4344 -0.8114 0.1385 C.ar 1 UNL1111111111 0.0170 24 C 4.6627 -1.7641 -0.8571 C.ar 1 UNL1111111111 -0.1763 25 C 5.5160 -0.2266 0.7989 C.ar 1 UNL1111111111 -0.1787 26 C 5.9653 -2.1277 -1.1891 C.ar 1 UNL1111111111 -0.1392 27 C 6.8183 -0.5934 0.4655 C.ar 1 UNL1111111111 -0.1369 28 C 7.0450 -1.5436 -0.5284 C.ar 1 UNL1111111111 -0.1639 29 H -3.7603 -2.7775 1.2202 H 1 UNL1111111111 0.1532 30 H -1.8547 1.6221 1.1723 H 1 UNL1111111111 0.1306 31 HA -2.3519 -2.0438 -0.7239 H 1 UNL1111111111 0.1877 32 H -5.3018 -0.8586 1.4709 H 1 UNL1111111111 0.1446 33 H -4.4115 -1.0052 2.9823 H 1 UNL1111111111 0.1408 34 H -2.1562 -2.1894 3.0510 H 1 UNL1111111111 0.1382 35 H -1.2543 -2.4118 1.5538 H 1 UNL1111111111 0.1425 36 H -3.7947 1.2310 2.6727 H 1 UNL1111111111 0.1416 37 H -4.3803 1.2216 1.0028 H 1 UNL1111111111 0.1634 38 H -0.3967 -0.2734 1.8971 H 1 UNL1111111111 0.1499 39 H -1.5493 0.0571 3.1844 H 1 UNL1111111111 0.1458 40 HA -1.2590 2.4038 -0.3400 H 1 UNL1111111111 0.1319 41 H 0.9383 2.4483 -1.7503 H 1 UNL1111111111 0.2885 42 HB1 -1.1096 3.5937 -2.5542 H 1 UNL1111111111 0.1515 43 HB2 -2.6067 2.6450 -2.4831 H 1 UNL1111111111 0.1663 44 HB3 -1.2354 2.0441 -3.4202 H 1 UNL1111111111 0.1838 45 H -5.6622 -2.3928 -1.6865 H 1 UNL1111111111 0.3570 46 HA 0.4939 0.2147 0.1944 H 1 UNL1111111111 0.1821 47 H 2.4765 0.1110 -1.5616 H 1 UNL1111111111 0.1806 48 H 3.2195 1.4377 -0.6658 H 1 UNL1111111111 0.1543 49 H 2.9771 0.0218 1.5014 H 1 UNL1111111111 0.1608 50 H 2.3722 -1.3057 0.5132 H 1 UNL1111111111 0.1552 51 H 1.3450 2.2070 2.8764 H 1 UNL1111111111 0.3571 52 H 3.8218 -2.2202 -1.3762 H 1 UNL1111111111 0.1560 53 H 5.3448 0.5174 1.5736 H 1 UNL1111111111 0.1516 54 H 6.1409 -2.8690 -1.9664 H 1 UNL1111111111 0.1487 55 H 7.6597 -0.1357 0.9821 H 1 UNL1111111111 0.1480 56 H 8.0616 -1.8287 -0.7888 H 1 UNL1111111111 0.1496 @BOND 1 1 16 1 2 1 45 1 3 2 15 2 4 3 16 2 5 4 21 1 6 4 51 1 7 5 21 2 8 6 9 1 9 6 10 1 10 6 15 am 11 7 17 1 12 7 19 1 13 7 41 1 14 8 10 1 15 8 11 1 16 8 12 1 17 8 29 1 18 9 13 1 19 9 14 1 20 9 30 1 21 10 16 1 22 10 31 1 23 11 13 1 24 11 32 1 25 11 33 1 26 12 14 1 27 12 34 1 28 12 35 1 29 13 36 1 30 13 37 1 31 14 38 1 32 14 39 1 33 15 17 1 34 17 18 1 35 17 40 1 36 18 42 1 37 18 43 1 38 18 44 1 39 19 20 1 40 19 21 1 41 19 46 1 42 20 22 1 43 20 47 1 44 20 48 1 45 22 23 1 46 22 49 1 47 22 50 1 48 23 24 ar 49 23 25 ar 50 24 26 ar 51 24 52 1 52 25 27 ar 53 25 53 1 54 26 28 ar 55 26 54 1 56 27 28 ar 57 27 55 1 58 28 56 1