@MOLECULE 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenyl-2-butanyl]benzamide 78 81 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.0542 -0.1050 0.4736 C.2 1 UNL111111111 0.5832 2 O 2.7645 0.3834 -0.5996 O.2 1 UNL111111111 -0.5287 3 C 4.3797 0.1113 1.1224 C.ar 1 UNL111111111 -0.0442 4 C 5.3997 -0.7972 0.8483 C.ar 1 UNL111111111 -0.2894 5 C 6.6475 -0.5594 1.4239 C.ar 1 UNL111111111 0.2944 6 C 6.8907 0.5422 2.2552 C.ar 1 UNL111111111 -0.2320 7 C 5.8499 1.4276 2.5027 C.ar 1 UNL111111111 -0.0828 8 C 4.5882 1.2182 1.9370 C.ar 1 UNL111111111 -0.1873 9 O 7.7101 -1.3801 1.2245 O.3 1 UNL111111111 -0.4708 10 N -2.0477 0.0788 0.4135 N.3 1 UNL111111111 -0.7691 11 C -3.2553 0.5615 1.0965 C.3 1 UNL111111111 -0.0515 12 C -4.5501 -0.1724 0.6966 C.3 1 UNL111111111 -0.3107 13 C -5.7577 0.4736 1.3885 C.3 1 UNL111111111 -0.2929 14 C -1.6200 -1.2636 0.8264 C.3 1 UNL111111111 -0.1287 15 C -0.2391 -1.1403 1.5242 C.3 1 UNL111111111 0.1088 16 O -0.1616 -2.0500 2.5962 O.3 1 UNL111111111 -0.5665 17 C 0.9344 -1.3567 0.5383 C.3 1 UNL111111111 0.0458 18 N 2.1704 -0.8958 1.1767 N.am 1 UNL111111111 -0.5974 19 C 1.0765 -2.8401 0.1154 C.3 1 UNL111111111 -0.3271 20 C 3.3365 -3.5371 -0.7316 C.ar 1 UNL111111111 -0.1937 21 C 4.2996 -3.5751 -1.7387 C.ar 1 UNL111111111 -0.1539 22 C 4.0254 -3.0245 -2.9881 C.ar 1 UNL111111111 -0.1587 23 C 2.7801 -2.4470 -3.2370 C.ar 1 UNL111111111 -0.1386 24 C 1.8137 -2.4108 -2.2372 C.ar 1 UNL111111111 -0.1493 25 C 2.0973 -2.9455 -0.9772 C.ar 1 UNL111111111 0.0158 26 C -7.0201 -0.2165 0.9694 C.ar 1 UNL111111111 0.0137 27 C -7.7548 -0.9677 1.8879 C.ar 1 UNL111111111 -0.1828 28 C -8.9249 -1.6102 1.4866 C.ar 1 UNL111111111 -0.1363 29 C -9.3637 -1.5066 0.1687 C.ar 1 UNL111111111 -0.1653 30 C -8.6316 -0.7544 -0.7497 C.ar 1 UNL111111111 -0.1324 31 C -7.4646 -0.1090 -0.3515 C.ar 1 UNL111111111 -0.1777 32 S -1.8265 0.5297 -1.2714 S.O2 1 UNL111111111 2.3693 33 O -3.1058 0.9876 -1.7626 O.2 1 UNL111111111 -0.9169 34 O -1.1449 -0.5953 -1.8860 O.2 1 UNL111111111 -0.9378 35 C -0.7273 1.8732 -1.1513 C.ar 1 UNL111111111 -0.4699 36 C 0.6066 1.7179 -1.5533 C.ar 1 UNL111111111 0.0259 37 C -1.1614 3.0888 -0.6261 C.ar 1 UNL111111111 0.0039 38 C 1.5105 2.7545 -1.3895 C.ar 1 UNL111111111 -0.2518 39 C -0.2710 4.1450 -0.4525 C.ar 1 UNL111111111 -0.3426 40 C 1.0634 3.9603 -0.8238 C.ar 1 UNL111111111 0.2900 41 O 2.0498 4.8795 -0.6965 O.3 1 UNL111111111 -0.3150 42 C 1.7170 6.1322 -0.1147 C.3 1 UNL111111111 -0.2073 43 H 5.2260 -1.6482 0.1935 H 1 UNL111111111 0.1757 44 H 7.8792 0.6864 2.6835 H 1 UNL111111111 0.1734 45 H 6.0168 2.2956 3.1402 H 1 UNL111111111 0.1519 46 H 3.7807 1.9233 2.1234 H 1 UNL111111111 0.1634 47 H 7.5000 -2.1202 0.6036 H 1 UNL111111111 0.3307 48 H -3.0909 0.4698 2.1960 H 1 UNL111111111 0.1372 49 H -3.3668 1.6523 0.8947 H 1 UNL111111111 0.1374 50 H -4.6893 -0.1314 -0.4063 H 1 UNL111111111 0.1803 51 H -4.4916 -1.2444 0.9524 H 1 UNL111111111 0.1394 52 H -5.6303 0.4454 2.4879 H 1 UNL111111111 0.1418 53 H -5.8147 1.5510 1.1241 H 1 UNL111111111 0.1544 54 H -2.3367 -1.7127 1.5525 H 1 UNL111111111 0.1490 55 H -1.5748 -1.9780 -0.0277 H 1 UNL111111111 0.1586 56 H -0.1429 -0.1561 2.0447 H 1 UNL111111111 0.1700 57 H -0.2769 -2.9732 2.3026 H 1 UNL111111111 0.3132 58 H 0.7522 -0.7376 -0.3900 H 1 UNL111111111 0.1988 59 H 2.4169 -1.3224 2.0555 H 1 UNL111111111 0.3190 60 H 1.3521 -3.4678 0.9834 H 1 UNL111111111 0.1443 61 H 0.0993 -3.2213 -0.2480 H 1 UNL111111111 0.1622 62 H 3.5538 -3.9671 0.2423 H 1 UNL111111111 0.1466 63 H 5.2638 -4.0398 -1.5497 H 1 UNL111111111 0.1421 64 H 4.7805 -3.0440 -3.7701 H 1 UNL111111111 0.1478 65 H 2.5648 -2.0156 -4.2126 H 1 UNL111111111 0.1498 66 H 0.8379 -1.9503 -2.4300 H 1 UNL111111111 0.1890 67 H -7.4168 -1.0544 2.9174 H 1 UNL111111111 0.1491 68 H -9.4951 -2.1947 2.2056 H 1 UNL111111111 0.1462 69 H -10.2752 -2.0103 -0.1434 H 1 UNL111111111 0.1485 70 H -8.9724 -0.6715 -1.7802 H 1 UNL111111111 0.1502 71 H -6.8928 0.4783 -1.0698 H 1 UNL111111111 0.1618 72 H 0.9614 0.7733 -1.9971 H 1 UNL111111111 0.1928 73 H -2.2086 3.2385 -0.3441 H 1 UNL111111111 0.1528 74 H 2.5588 2.6317 -1.6646 H 1 UNL111111111 0.1923 75 H -0.6173 5.0833 -0.0387 H 1 UNL111111111 0.1586 76 H 2.6841 6.6558 -0.1278 H 1 UNL111111111 0.1603 77 H 0.9848 6.6668 -0.7272 H 1 UNL111111111 0.1358 78 H 1.3641 6.0055 0.9129 H 1 UNL111111111 0.1338 @BOND 1 1 3 1 2 1 2 2 3 3 8 ar 4 3 4 ar 5 4 43 1 6 5 4 ar 7 5 9 1 8 6 5 ar 9 6 44 1 10 7 6 ar 11 7 45 1 12 8 7 ar 13 8 46 1 14 9 47 1 15 10 11 1 16 10 14 1 17 11 12 1 18 11 48 1 19 11 49 1 20 12 13 1 21 12 50 1 22 12 51 1 23 13 26 1 24 13 52 1 25 13 53 1 26 14 15 1 27 14 54 1 28 14 55 1 29 15 16 1 30 15 17 1 31 15 56 1 32 16 57 1 33 17 18 1 34 17 19 1 35 17 58 1 36 18 1 am 37 18 59 1 38 19 25 1 39 19 60 1 40 19 61 1 41 20 21 ar 42 20 25 ar 43 20 62 1 44 21 22 ar 45 21 63 1 46 22 23 ar 47 22 64 1 48 23 24 ar 49 23 65 1 50 24 25 ar 51 24 66 1 52 26 27 ar 53 26 31 ar 54 27 28 ar 55 27 67 1 56 28 29 ar 57 28 68 1 58 29 30 ar 59 29 69 1 60 30 31 ar 61 30 70 1 62 31 71 1 63 32 33 2 64 32 34 2 65 32 10 1 66 35 37 ar 67 35 32 1 68 36 35 ar 69 36 72 1 70 37 39 ar 71 37 73 1 72 38 36 ar 73 38 74 1 74 39 75 1 75 40 38 ar 76 40 39 ar 77 41 40 1 78 42 41 1 79 42 76 1 80 42 77 1 81 42 78 1