@MOLECULE n-{(2s,3r)-4-[(2,6-dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide 87 89 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.8254 0.5050 -0.8719 C.2 1 UNL1111111111 0.5779 2 N -1.5888 1.2028 0.0464 N.am 1 UNL1111111111 -0.6116 3 C -2.0171 2.5771 -0.2389 C.3 1 UNL1111111111 0.0733 4 C -1.1871 3.5399 0.6575 C.3 1 UNL1111111111 0.1231 5 C -3.5241 2.7414 0.0621 C.3 1 UNL1111111111 -0.3265 6 C 0.2745 3.6289 0.1699 C.3 1 UNL1111111111 -0.1699 7 O -0.3456 1.0537 -1.8429 O.2 1 UNL1111111111 -0.5242 8 C -0.6006 -0.9290 -0.5244 C.ar 1 UNL1111111111 0.0126 9 C 0.7060 -1.3644 -0.3635 C.ar 1 UNL1111111111 -0.3127 10 C 0.9337 -2.7096 -0.0050 C.ar 1 UNL1111111111 0.3110 11 C -0.1480 -3.5771 0.1608 C.ar 1 UNL1111111111 -0.3711 12 C -1.4667 -3.1150 -0.0285 C.ar 1 UNL1111111111 0.2985 13 C -1.6944 -1.7670 -0.3636 C.ar 1 UNL1111111111 -0.3309 14 C -4.3115 1.5650 -0.4230 C.ar 1 UNL1111111111 0.0259 15 C -4.2494 1.1750 -1.7639 C.ar 1 UNL1111111111 -0.1692 16 C -4.9370 0.0448 -2.1960 C.ar 1 UNL1111111111 -0.1297 17 C -5.7056 -0.6942 -1.2973 C.ar 1 UNL1111111111 -0.1759 18 C -5.7874 -0.2948 0.0347 C.ar 1 UNL1111111111 -0.1403 19 C -5.0893 0.8285 0.4733 C.ar 1 UNL1111111111 -0.1937 20 N 1.1525 3.9489 1.3123 N.3 1 UNL1111111111 -0.5933 21 O -1.8216 4.7970 0.4956 O.3 1 UNL1111111111 -0.5807 22 N -2.5001 -4.0456 0.0523 N.pl3 1 UNL1111111111 -0.5144 23 C -3.8771 -3.5953 0.2910 C.3 1 UNL1111111111 -0.0585 24 C -4.0867 -3.0568 1.7111 C.3 1 UNL1111111111 -0.4804 25 N 2.2510 -3.1544 0.1886 N.am 1 UNL1111111111 -0.4848 26 C 3.4006 -2.2903 -0.1569 C.3 1 UNL1111111111 -0.0654 27 C 4.6679 -3.1330 0.1197 C.3 1 UNL1111111111 -0.2815 28 C 4.1736 -4.4509 0.7275 C.3 1 UNL1111111111 -0.3551 29 C 2.6593 -4.3849 0.7114 C.2 1 UNL1111111111 0.6027 30 O 1.9142 -5.2503 1.0962 O.2 1 UNL1111111111 -0.5066 31 C 1.8023 2.7964 1.9886 C.3 1 UNL1111111111 0.2722 32 C 0.7517 2.0592 2.8449 C.3 1 UNL1111111111 -0.4727 33 C 2.8804 3.3830 2.9270 C.3 1 UNL1111111111 -0.4843 34 C 2.4479 1.7520 1.0362 C.3 1 UNL1111111111 -0.3405 35 C 3.4144 2.3507 0.0117 C.3 1 UNL1111111111 -0.2687 36 C 3.9472 1.2463 -0.9117 C.3 1 UNL1111111111 -0.2846 37 C 4.7334 1.8182 -2.1061 C.3 1 UNL1111111111 -0.0547 38 C 5.0177 0.6932 -3.1110 C.3 1 UNL1111111111 -0.4564 39 C 6.0491 2.4596 -1.6522 C.3 1 UNL1111111111 -0.4571 40 H -2.0573 0.7226 0.8003 H 1 UNL1111111111 0.3175 41 H -1.8209 2.8182 -1.3195 H 1 UNL1111111111 0.1748 42 H -1.2532 3.2645 1.7310 H 1 UNL1111111111 0.1382 43 H -3.6798 2.9192 1.1448 H 1 UNL1111111111 0.1594 44 H -3.8800 3.6807 -0.4184 H 1 UNL1111111111 0.1812 45 H 0.5640 2.6919 -0.3576 H 1 UNL1111111111 0.1679 46 H 0.3463 4.4321 -0.5970 H 1 UNL1111111111 0.1447 47 H -1.3019 5.4856 0.9577 H 1 UNL1111111111 0.3303 48 H 1.8498 4.6393 1.0402 H 1 UNL1111111111 0.2594 49 H 1.5236 -0.6701 -0.5255 H 1 UNL1111111111 0.1716 50 H -2.7027 -1.3963 -0.5227 H 1 UNL1111111111 0.1739 51 H 0.0150 -4.6209 0.4286 H 1 UNL1111111111 0.1990 52 H -2.2669 -4.9260 0.4993 H 1 UNL1111111111 0.2958 53 H -3.6489 1.7482 -2.4698 H 1 UNL1111111111 0.1629 54 H -5.1556 1.1307 1.5156 H 1 UNL1111111111 0.1496 55 H -4.8719 -0.2642 -3.2382 H 1 UNL1111111111 0.1525 56 H -6.2460 -1.5737 -1.6383 H 1 UNL1111111111 0.1482 57 H -6.3983 -0.8599 0.7349 H 1 UNL1111111111 0.1431 58 H -4.1511 -2.8205 -0.4635 H 1 UNL1111111111 0.1524 59 H -4.5505 -4.4621 0.0999 H 1 UNL1111111111 0.1390 60 H -3.8705 -3.8159 2.4702 H 1 UNL1111111111 0.1505 61 H -3.4320 -2.1991 1.9111 H 1 UNL1111111111 0.1579 62 H -5.1191 -2.7237 1.8591 H 1 UNL1111111111 0.1485 63 H 3.3410 -1.9838 -1.2236 H 1 UNL1111111111 0.1525 64 H 3.3871 -1.3703 0.4680 H 1 UNL1111111111 0.1477 65 H 5.2354 -3.3077 -0.8102 H 1 UNL1111111111 0.1515 66 H 5.3538 -2.6041 0.8019 H 1 UNL1111111111 0.1499 67 H 4.5181 -5.3351 0.1596 H 1 UNL1111111111 0.1761 68 H 4.5322 -4.6005 1.7628 H 1 UNL1111111111 0.1749 69 H 0.0096 1.5498 2.2201 H 1 UNL1111111111 0.1560 70 H 1.2209 1.3060 3.4838 H 1 UNL1111111111 0.1442 71 H 0.2180 2.7648 3.4918 H 1 UNL1111111111 0.1541 72 H 2.4439 4.1337 3.5970 H 1 UNL1111111111 0.1574 73 H 3.3249 2.6022 3.5502 H 1 UNL1111111111 0.1491 74 H 3.6905 3.8645 2.3730 H 1 UNL1111111111 0.1421 75 H 2.9710 0.9948 1.6484 H 1 UNL1111111111 0.1420 76 H 1.6423 1.2010 0.5084 H 1 UNL1111111111 0.1548 77 H 2.9082 3.1272 -0.5911 H 1 UNL1111111111 0.1380 78 H 4.2530 2.8577 0.5215 H 1 UNL1111111111 0.1324 79 H 4.5857 0.5514 -0.3392 H 1 UNL1111111111 0.1292 80 H 3.0960 0.6504 -1.2995 H 1 UNL1111111111 0.1446 81 H 4.1079 2.5950 -2.6089 H 1 UNL1111111111 0.1327 82 H 5.5559 1.0719 -3.9861 H 1 UNL1111111111 0.1409 83 H 5.6291 -0.0976 -2.6671 H 1 UNL1111111111 0.1380 84 H 4.0876 0.2389 -3.4722 H 1 UNL1111111111 0.1494 85 H 6.6955 1.7359 -1.1458 H 1 UNL1111111111 0.1414 86 H 6.6083 2.8619 -2.5037 H 1 UNL1111111111 0.1405 87 H 5.8733 3.2873 -0.9572 H 1 UNL1111111111 0.1405 @BOND 1 1 2 am 2 1 7 2 3 1 8 1 4 2 3 1 5 2 40 1 6 3 4 1 7 3 5 1 8 3 41 1 9 4 6 1 10 4 21 1 11 4 42 1 12 5 14 1 13 5 43 1 14 5 44 1 15 6 20 1 16 6 45 1 17 6 46 1 18 8 9 ar 19 8 13 ar 20 9 10 ar 21 9 49 1 22 10 11 ar 23 10 25 1 24 11 12 ar 25 11 51 1 26 12 13 ar 27 12 22 1 28 13 50 1 29 14 15 ar 30 14 19 ar 31 15 16 ar 32 15 53 1 33 16 17 ar 34 16 55 1 35 17 18 ar 36 17 56 1 37 18 19 ar 38 18 57 1 39 19 54 1 40 20 31 1 41 20 48 1 42 21 47 1 43 22 23 1 44 22 52 1 45 23 24 1 46 23 58 1 47 23 59 1 48 24 60 1 49 24 61 1 50 24 62 1 51 25 26 1 52 25 29 am 53 26 27 1 54 26 63 1 55 26 64 1 56 27 28 1 57 27 65 1 58 27 66 1 59 28 29 1 60 28 67 1 61 28 68 1 62 29 30 2 63 31 32 1 64 31 33 1 65 31 34 1 66 32 69 1 67 32 70 1 68 32 71 1 69 33 72 1 70 33 73 1 71 33 74 1 72 34 35 1 73 34 75 1 74 34 76 1 75 35 36 1 76 35 77 1 77 35 78 1 78 36 37 1 79 36 79 1 80 36 80 1 81 37 38 1 82 37 39 1 83 37 81 1 84 38 82 1 85 38 83 1 86 38 84 1 87 39 85 1 88 39 86 1 89 39 87 1