@MOLECULE 3-fluoro-4-{[(2s)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid 55 57 0 0 0 SMALL USER_CHARGES @ATOM 1 F -2.3791 -0.6013 -2.3940 F 1 UNL111111111111111 -0.1601 2 O 1.0631 3.8922 0.2372 O.3 1 UNL111111111111111 -0.4954 3 O -0.9492 2.4001 1.1947 O.2 1 UNL111111111111111 -0.4912 4 O -6.4245 -2.3837 -0.3498 O.3 1 UNL111111111111111 -0.5598 5 O -6.8490 -1.1890 1.4795 O.2 1 UNL111111111111111 -0.5022 6 N -1.4244 1.4842 -0.8520 N.am 1 UNL111111111111111 -0.5496 7 C 3.1581 -0.7578 1.8518 C.3 1 UNL111111111111111 0.0935 8 C 4.4608 -1.5571 -0.7791 C.3 1 UNL111111111111111 0.0892 9 C 4.4076 -1.6551 1.7498 C.3 1 UNL111111111111111 -0.2904 10 C 4.3966 -2.4710 0.4612 C.3 1 UNL111111111111111 -0.2910 11 C 2.8872 -0.0397 0.5472 C.ar 1 UNL111111111111111 -0.0201 12 C 3.4898 -0.4024 -0.6635 C.ar 1 UNL111111111111111 -0.0079 13 C 1.9209 -1.6068 2.1945 C.3 1 UNL111111111111111 -0.4551 14 C 3.4109 0.2608 2.9804 C.3 1 UNL111111111111111 -0.4612 15 C 5.8779 -0.9785 -0.9384 C.3 1 UNL111111111111111 -0.4560 16 C 4.1186 -2.4242 -2.0066 C.3 1 UNL111111111111111 -0.4624 17 C 1.9656 1.0122 0.5606 C.ar 1 UNL111111111111111 -0.1601 18 C 3.2030 0.3377 -1.8178 C.ar 1 UNL111111111111111 -0.1659 19 C 1.6616 1.7162 -0.6002 C.ar 1 UNL111111111111111 -0.0963 20 C 2.2979 1.3913 -1.7958 C.ar 1 UNL111111111111111 -0.1485 21 C 0.6440 2.8206 -0.5584 C.3 1 UNL111111111111111 0.0739 22 C -0.6543 2.2383 0.0357 C.2 1 UNL111111111111111 0.5346 23 C -2.5847 0.7823 -0.4849 C.ar 1 UNL111111111111111 0.2111 24 C -3.0547 -0.2751 -1.3011 C.ar 1 UNL111111111111111 0.0492 25 C -3.3291 1.0946 0.6628 C.ar 1 UNL111111111111111 -0.2172 26 C -4.2007 -0.9963 -1.0033 C.ar 1 UNL111111111111111 -0.0904 27 C -4.4781 0.3770 0.9743 C.ar 1 UNL111111111111111 -0.0548 28 C -4.9146 -0.6629 0.1498 C.ar 1 UNL111111111111111 -0.1692 29 C -6.1343 -1.3857 0.5295 C.2 1 UNL111111111111111 0.6504 30 H 4.4606 -2.3266 2.6269 H 1 UNL111111111111111 0.1415 31 H 5.3218 -1.0322 1.7940 H 1 UNL111111111111111 0.1443 32 H 5.2448 -3.1802 0.4489 H 1 UNL111111111111111 0.1406 33 H 3.4837 -3.0967 0.4188 H 1 UNL111111111111111 0.1458 34 H 1.0277 -0.9837 2.3181 H 1 UNL111111111111111 0.1510 35 H 1.7025 -2.3299 1.4010 H 1 UNL111111111111111 0.1491 36 H 2.0666 -2.1644 3.1252 H 1 UNL111111111111111 0.1491 37 H 2.5010 0.8055 3.2537 H 1 UNL111111111111111 0.1496 38 H 3.7686 -0.2378 3.8880 H 1 UNL111111111111111 0.1497 39 H 4.1636 0.9998 2.6847 H 1 UNL111111111111111 0.1495 40 H 5.9595 -0.3584 -1.8372 H 1 UNL111111111111111 0.1472 41 H 6.1467 -0.3469 -0.0838 H 1 UNL111111111111111 0.1508 42 H 6.6255 -1.7745 -1.0144 H 1 UNL111111111111111 0.1485 43 H 4.3246 -1.9053 -2.9477 H 1 UNL111111111111111 0.1463 44 H 4.7091 -3.3468 -2.0137 H 1 UNL111111111111111 0.1491 45 H 3.0592 -2.7047 -2.0085 H 1 UNL111111111111111 0.1511 46 H 1.4662 1.2776 1.4950 H 1 UNL111111111111111 0.1653 47 H 3.6972 0.0857 -2.7558 H 1 UNL111111111111111 0.1550 48 H 2.0975 1.9543 -2.7047 H 1 UNL111111111111111 0.1531 49 H 0.4758 3.3093 -1.5480 H 1 UNL111111111111111 0.1696 50 H 1.0824 3.6378 1.1927 H 1 UNL111111111111111 0.3313 51 H -1.0604 1.3287 -1.7890 H 1 UNL111111111111111 0.3256 52 H -3.0125 1.9085 1.3235 H 1 UNL111111111111111 0.2067 53 H -4.5395 -1.8116 -1.6516 H 1 UNL111111111111111 0.1946 54 H -5.0504 0.6286 1.8748 H 1 UNL111111111111111 0.1812 55 H -7.2441 -2.8839 -0.1112 H 1 UNL111111111111111 0.3572 @BOND 1 43 16 1 2 47 18 1 3 48 20 1 4 1 24 1 5 44 16 1 6 45 16 1 7 16 8 1 8 40 15 1 9 18 20 ar 10 18 12 ar 11 20 19 ar 12 51 6 1 13 53 26 1 14 49 21 1 15 24 26 ar 16 24 23 ar 17 42 15 1 18 26 28 ar 19 15 8 1 20 15 41 1 21 6 23 1 22 6 22 am 23 8 12 1 24 8 10 1 25 12 11 ar 26 19 21 1 27 19 17 ar 28 21 22 1 29 21 2 1 30 23 25 ar 31 4 55 1 32 4 29 1 33 22 3 2 34 28 29 1 35 28 27 ar 36 2 50 1 37 33 10 1 38 32 10 1 39 10 9 1 40 29 5 2 41 11 17 ar 42 11 7 1 43 17 46 1 44 25 27 ar 45 25 52 1 46 27 54 1 47 35 13 1 48 9 31 1 49 9 7 1 50 9 30 1 51 7 13 1 52 7 14 1 53 13 34 1 54 13 36 1 55 39 14 1 56 14 37 1 57 14 38 1