@MOLECULE (2-{2-[(2r)-4-hexyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-2-yl]ethoxy}phenyl)acetic acid 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4545 -1.4490 -1.0066 O.3 1 UNL1111111111 -0.3212 2 O 1.6159 -1.1086 -2.6371 O.2 1 UNL1111111111 -0.5008 3 O -2.3891 1.5286 -1.9340 O.3 1 UNL1111111111 -0.3685 4 O 1.1946 1.6149 0.0324 O.3 1 UNL1111111111 -0.5872 5 O 0.5540 2.5273 1.9597 O.2 1 UNL1111111111 -0.5076 6 N 1.2221 -2.0654 -0.6179 N.am 1 UNL1111111111 -0.4594 7 C 2.6135 -2.5267 -0.5007 C.3 1 UNL1111111111 -0.0629 8 C -0.4922 -0.5733 -1.5918 C.3 1 UNL1111111111 0.0162 9 C 3.4561 -1.5950 0.3918 C.3 1 UNL1111111111 -0.3021 10 C 3.8625 -0.3189 -0.3521 C.3 1 UNL1111111111 -0.2787 11 C 0.8662 -1.2608 -1.6994 C.2 1 UNL1111111111 0.5401 12 C 0.3064 -2.2802 0.4301 C.ar 1 UNL1111111111 0.1205 13 C -1.0595 -0.2033 -2.9542 C.3 1 UNL1111111111 -0.3121 14 C 4.4134 0.7294 0.6209 C.3 1 UNL1111111111 -0.2820 15 C -1.0460 -1.9359 0.2060 C.ar 1 UNL1111111111 0.1204 16 C -2.4548 0.4111 -2.8192 C.3 1 UNL1111111111 -0.0190 17 C 4.6098 2.0761 -0.0882 C.3 1 UNL1111111111 -0.2570 18 C 0.6482 -2.8354 1.6660 C.ar 1 UNL1111111111 -0.2024 19 C -2.0284 -2.1315 1.1658 C.ar 1 UNL1111111111 -0.1681 20 C -0.3373 -3.0336 2.6338 C.ar 1 UNL1111111111 -0.1360 21 C -1.6638 -2.6881 2.3913 C.ar 1 UNL1111111111 -0.1504 22 C 5.0292 3.1587 0.9048 C.3 1 UNL1111111111 -0.4422 23 C -2.8098 1.3370 -0.6486 C.ar 1 UNL1111111111 0.2465 24 C -2.0540 1.9966 0.3347 C.ar 1 UNL1111111111 -0.0970 25 C -3.9657 0.6260 -0.3216 C.ar 1 UNL1111111111 -0.2606 26 C -0.8368 2.7828 -0.0306 C.3 1 UNL1111111111 -0.3369 27 C -2.4752 1.9131 1.6617 C.ar 1 UNL1111111111 -0.1039 28 C -4.3625 0.5554 1.0104 C.ar 1 UNL1111111111 -0.0973 29 C -3.6170 1.1918 2.0014 C.ar 1 UNL1111111111 -0.1997 30 C 0.3314 2.3306 0.7950 C.2 1 UNL1111111111 0.6579 31 H 2.6187 -3.5654 -0.1021 H 1 UNL1111111111 0.1407 32 H 3.0561 -2.5814 -1.5267 H 1 UNL1111111111 0.1734 33 H -0.3861 0.3298 -0.9350 H 1 UNL1111111111 0.1839 34 H 4.3589 -2.1341 0.7354 H 1 UNL1111111111 0.1441 35 H 2.8921 -1.3370 1.3092 H 1 UNL1111111111 0.1497 36 H 4.6159 -0.5516 -1.1288 H 1 UNL1111111111 0.1456 37 H 2.9996 0.0894 -0.9179 H 1 UNL1111111111 0.1574 38 H -0.3603 0.5042 -3.4519 H 1 UNL1111111111 0.1807 39 H -1.1057 -1.0941 -3.6142 H 1 UNL1111111111 0.1693 40 H 5.3736 0.3842 1.0482 H 1 UNL1111111111 0.1404 41 H 3.7383 0.8520 1.4899 H 1 UNL1111111111 0.1337 42 H -3.1960 -0.3392 -2.4966 H 1 UNL1111111111 0.1395 43 H -2.7902 0.8778 -3.7650 H 1 UNL1111111111 0.1391 44 H 3.6786 2.3794 -0.6069 H 1 UNL1111111111 0.1419 45 H 5.3709 1.9744 -0.8849 H 1 UNL1111111111 0.1375 46 H 1.6742 -3.1210 1.8841 H 1 UNL1111111111 0.1633 47 H -3.0572 -1.8428 0.9557 H 1 UNL1111111111 0.1733 48 H -0.0589 -3.4646 3.5943 H 1 UNL1111111111 0.1515 49 H -2.4195 -2.8448 3.1577 H 1 UNL1111111111 0.1535 50 H 4.2673 3.3133 1.6780 H 1 UNL1111111111 0.1464 51 H 5.9647 2.8988 1.4122 H 1 UNL1111111111 0.1424 52 H 5.1838 4.1201 0.4023 H 1 UNL1111111111 0.1417 53 H -4.5532 0.1379 -1.0937 H 1 UNL1111111111 0.1624 54 H -1.0144 3.8699 0.1445 H 1 UNL1111111111 0.1874 55 H -0.6071 2.6975 -1.1221 H 1 UNL1111111111 0.2045 56 H -1.8925 2.4086 2.4438 H 1 UNL1111111111 0.1736 57 H -5.2618 0.0022 1.2775 H 1 UNL1111111111 0.1481 58 H -3.9252 1.1263 3.0421 H 1 UNL1111111111 0.1557 59 H 2.0019 1.2921 0.5186 H 1 UNL1111111111 0.3706 @BOND 1 1 8 1 2 1 15 1 3 2 11 2 4 3 16 1 5 3 23 1 6 4 30 1 7 4 59 1 8 5 30 2 9 6 7 1 10 6 11 am 11 6 12 1 12 7 9 1 13 7 31 1 14 7 32 1 15 8 11 1 16 8 13 1 17 8 33 1 18 9 10 1 19 9 34 1 20 9 35 1 21 10 14 1 22 10 36 1 23 10 37 1 24 12 15 ar 25 12 18 ar 26 13 16 1 27 13 38 1 28 13 39 1 29 14 17 1 30 14 40 1 31 14 41 1 32 15 19 ar 33 16 42 1 34 16 43 1 35 17 22 1 36 17 44 1 37 17 45 1 38 18 20 ar 39 18 46 1 40 19 21 ar 41 19 47 1 42 20 21 ar 43 20 48 1 44 21 49 1 45 22 50 1 46 22 51 1 47 22 52 1 48 23 24 ar 49 23 25 ar 50 24 26 1 51 24 27 ar 52 25 28 ar 53 25 53 1 54 26 30 1 55 26 54 1 56 26 55 1 57 27 29 ar 58 27 56 1 59 28 29 ar 60 28 57 1 61 29 58 1