@MOLECULE (4s)-4-cyclohexyl-1-{[hydroxy(4-phenylbutyl)phosphoryl]acetyl}-l-proline 64 66 0 0 0 SMALL GASTEIGER @ATOM 1 P -1.1532 -0.8742 -0.9592 P.3 1 UNL1111111111 0.1507 2 O 4.4659 -3.9393 0.7075 O.3 1 UNL1111111111 -0.5565 3 O 1.2959 -2.6302 -0.4440 O.2 1 UNL1111111111 -0.5740 4 O 3.7176 -2.4779 2.2163 O.2 1 UNL1111111111 -0.5025 5 O -1.3480 -2.4712 -0.9853 O.3 1 UNL1111111111 -0.4019 6 O -0.8644 -0.2887 -2.2781 O.2 1 UNL1111111111 -0.3594 7 N 2.6846 -0.9576 0.0136 N.am 1 UNL1111111111 -0.5057 8 C 4.6302 0.3826 0.4935 C.3 1 UNL1111111111 -0.1377 9 C 5.2521 1.6487 -0.1142 C.3 1 UNL1111111111 -0.1111 10 C 5.0530 -0.9022 -0.2578 C.3 1 UNL1111111111 -0.2990 11 C 3.0786 0.4004 0.4104 C.3 1 UNL1111111111 -0.0648 12 C 6.7897 1.5639 -0.0978 C.3 1 UNL1111111111 -0.2771 13 C 4.8085 2.8893 0.6900 C.3 1 UNL1111111111 -0.2805 14 C 3.8374 -1.8416 -0.1657 C.3 1 UNL1111111111 0.0494 15 C 7.4194 2.8370 -0.6740 C.3 1 UNL1111111111 -0.2645 16 C 5.4266 4.1601 0.0931 C.3 1 UNL1111111111 -0.2633 17 C 6.9562 4.0754 0.1019 C.3 1 UNL1111111111 -0.2644 18 C 1.4105 -1.4654 -0.0846 C.2 1 UNL1111111111 0.6464 19 C 3.9710 -2.7320 1.0705 C.2 1 UNL1111111111 0.6078 20 C 0.2365 -0.5954 0.2902 C.3 1 UNL1111111111 -0.3639 21 C -2.7078 -0.3623 -0.1089 C.3 1 UNL1111111111 -0.2060 22 C -3.9868 -0.4075 -0.9855 C.3 1 UNL1111111111 -0.2228 23 C -5.1652 0.1111 -0.1474 C.3 1 UNL1111111111 -0.2709 24 C -6.4601 0.0948 -0.9764 C.3 1 UNL1111111111 -0.2901 25 C -7.5899 0.6342 -0.1531 C.ar 1 UNL1111111111 0.0181 26 C -8.4059 -0.2396 0.5703 C.ar 1 UNL1111111111 -0.1833 27 C -7.8158 2.0111 -0.0928 C.ar 1 UNL1111111111 -0.1850 28 C -9.4414 0.2678 1.3517 C.ar 1 UNL1111111111 -0.1353 29 C -8.8528 2.5117 0.6905 C.ar 1 UNL1111111111 -0.1358 30 C -9.6668 1.6416 1.4147 C.ar 1 UNL1111111111 -0.1673 31 H 4.9369 0.2949 1.5618 H 1 UNL1111111111 0.1526 32 H 4.9105 1.7612 -1.1707 H 1 UNL1111111111 0.1435 33 H 5.2868 -0.6856 -1.3169 H 1 UNL1111111111 0.1637 34 H 5.9630 -1.3485 0.1740 H 1 UNL1111111111 0.1574 35 H 2.6312 0.6724 1.3883 H 1 UNL1111111111 0.1381 36 H 2.7200 1.1230 -0.3554 H 1 UNL1111111111 0.1486 37 H 7.1475 1.4047 0.9373 H 1 UNL1111111111 0.1404 38 H 7.1339 0.6864 -0.6754 H 1 UNL1111111111 0.1335 39 H 3.7081 2.9787 0.6922 H 1 UNL1111111111 0.1290 40 H 5.1124 2.7837 1.7477 H 1 UNL1111111111 0.1406 41 H 3.7034 -2.4807 -1.0840 H 1 UNL1111111111 0.1994 42 H 8.5220 2.7613 -0.6408 H 1 UNL1111111111 0.1320 43 H 7.1539 2.9414 -1.7429 H 1 UNL1111111111 0.1368 44 H 5.0657 4.3045 -0.9430 H 1 UNL1111111111 0.1377 45 H 5.0910 5.0469 0.6610 H 1 UNL1111111111 0.1312 46 H 7.3907 4.9889 -0.3437 H 1 UNL1111111111 0.1308 47 H 7.3316 4.0347 1.1410 H 1 UNL1111111111 0.1367 48 H -0.1081 -0.8918 1.3202 H 1 UNL1111111111 0.2020 49 H 0.4823 0.4963 0.3257 H 1 UNL1111111111 0.1915 50 H -2.8688 -1.0239 0.7907 H 1 UNL1111111111 0.1771 51 H -2.5693 0.6893 0.2758 H 1 UNL1111111111 0.1694 52 H 4.5412 -4.5841 1.4533 H 1 UNL1111111111 0.3566 53 H -3.8865 0.2071 -1.9054 H 1 UNL1111111111 0.1554 54 H -4.2069 -1.4378 -1.3383 H 1 UNL1111111111 0.1566 55 H -0.4127 -2.9082 -1.0629 H 1 UNL1111111111 0.3580 56 H -5.2964 -0.5075 0.7602 H 1 UNL1111111111 0.1398 57 H -4.9638 1.1382 0.2100 H 1 UNL1111111111 0.1371 58 H -6.6759 -0.9362 -1.3222 H 1 UNL1111111111 0.1521 59 H -6.3284 0.6904 -1.9027 H 1 UNL1111111111 0.1526 60 H -8.2332 -1.3122 0.5250 H 1 UNL1111111111 0.1531 61 H -7.1826 2.6915 -0.6572 H 1 UNL1111111111 0.1521 62 H -10.0776 -0.4126 1.9152 H 1 UNL1111111111 0.1482 63 H -9.0283 3.5846 0.7361 H 1 UNL1111111111 0.1476 64 H -10.4764 2.0337 2.0254 H 1 UNL1111111111 0.1496 @BOND 1 1 5 1 2 1 6 2 3 1 20 1 4 1 21 1 5 2 19 1 6 2 52 1 7 3 18 2 8 4 19 2 9 5 55 1 10 7 11 1 11 7 14 1 12 7 18 am 13 8 9 1 14 8 10 1 15 8 11 1 16 8 31 1 17 9 12 1 18 9 13 1 19 9 32 1 20 10 14 1 21 10 33 1 22 10 34 1 23 11 35 1 24 11 36 1 25 12 15 1 26 12 37 1 27 12 38 1 28 13 16 1 29 13 39 1 30 13 40 1 31 14 19 1 32 14 41 1 33 15 17 1 34 15 42 1 35 15 43 1 36 16 17 1 37 16 44 1 38 16 45 1 39 17 46 1 40 17 47 1 41 18 20 1 42 20 48 1 43 20 49 1 44 21 22 1 45 21 50 1 46 21 51 1 47 22 23 1 48 22 53 1 49 22 54 1 50 23 24 1 51 23 56 1 52 23 57 1 53 24 25 1 54 24 58 1 55 24 59 1 56 25 26 ar 57 25 27 ar 58 26 28 ar 59 26 60 1 60 27 29 ar 61 27 61 1 62 28 30 ar 63 28 62 1 64 29 30 ar 65 29 63 1 66 30 64 1