@MOLECULE 1-[(3s,4r)-3-(4-biphenylylmethyl)-4-hydroxy-3,4-dihydro-2h-chromen-7-yl]cyclopentanecarboxylic acid 60 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6035 -0.1497 1.1245 O.3 1 UNL1111 -0.3278 2 O -5.8311 0.7100 -2.1369 O.3 1 UNL1111 -0.5671 3 O -0.9321 -3.7520 0.6870 O.3 1 UNL1111 -0.5478 4 O -5.1210 2.6948 -1.4359 O.2 1 UNL1111 -0.5071 5 C -5.2470 0.8338 0.1620 C.3 1 UNL1111 -0.0182 6 C -5.1678 1.8902 1.2869 C.3 1 UNL1111 -0.2674 7 C -6.5438 0.0511 0.4862 C.3 1 UNL1111 -0.2632 8 C -6.6243 2.2523 1.6143 C.3 1 UNL1111 -0.2646 9 C -7.4712 1.0222 1.2380 C.3 1 UNL1111 -0.2694 10 C -4.0402 -0.0646 0.0594 C.ar 1 UNL1111 0.0417 11 C -5.3755 1.5510 -1.1689 C.2 1 UNL1111 0.6334 12 C 0.6527 -2.0123 0.1332 C.3 1 UNL1111 -0.1993 13 C -0.6655 -2.7197 -0.2536 C.3 1 UNL1111 0.1543 14 C -2.8263 0.2955 0.6334 C.ar 1 UNL1111 -0.2681 15 C -1.8419 -1.8005 -0.1544 C.ar 1 UNL1111 -0.1762 16 C -4.1511 -1.2767 -0.6356 C.ar 1 UNL1111 -0.2271 17 C -1.7452 -0.5906 0.5367 C.ar 1 UNL1111 0.2655 18 C 0.3887 -1.1461 1.3652 C.3 1 UNL1111 -0.0469 19 C -3.0635 -2.1365 -0.7366 C.ar 1 UNL1111 -0.0664 20 C 1.1694 -1.1671 -1.0418 C.3 1 UNL1111 -0.2964 21 C 2.5564 -0.6731 -0.7652 C.ar 1 UNL1111 0.0149 22 C 2.7700 0.6577 -0.4012 C.ar 1 UNL1111 -0.1650 23 C 3.6412 -1.5481 -0.8650 C.ar 1 UNL1111 -0.1751 24 C 4.0603 1.1144 -0.1487 C.ar 1 UNL1111 -0.1417 25 C 4.9306 -1.0950 -0.6052 C.ar 1 UNL1111 -0.1438 26 C 5.1442 0.2398 -0.2521 C.ar 1 UNL1111 -0.0318 27 C 6.5080 0.7214 -0.0019 C.ar 1 UNL1111 -0.0128 28 C 7.0551 1.7154 -0.8173 C.ar 1 UNL1111 -0.1548 29 C 7.2615 0.1818 1.0433 C.ar 1 UNL1111 -0.1569 30 C 8.3546 2.1618 -0.5907 C.ar 1 UNL1111 -0.1404 31 C 8.5587 0.6358 1.2692 C.ar 1 UNL1111 -0.1411 32 C 9.1073 1.6227 0.4516 C.ar 1 UNL1111 -0.1525 33 H -4.5823 2.7758 0.9847 H 1 UNL1111 0.1603 34 H -4.6697 1.4624 2.1763 H 1 UNL1111 0.1526 35 H -6.3018 -0.8227 1.1191 H 1 UNL1111 0.1534 36 H -7.0236 -0.3515 -0.4210 H 1 UNL1111 0.1550 37 H -6.7431 2.5203 2.6752 H 1 UNL1111 0.1358 38 H -6.9429 3.1375 1.0358 H 1 UNL1111 0.1428 39 H -8.3307 1.3144 0.6127 H 1 UNL1111 0.1357 40 H -7.8963 0.5427 2.1347 H 1 UNL1111 0.1361 41 H 1.4168 -2.7831 0.3958 H 1 UNL1111 0.1539 42 H -0.5910 -3.1837 -1.2644 H 1 UNL1111 0.1231 43 H -2.6874 1.2383 1.1570 H 1 UNL1111 0.1801 44 H -5.0940 -1.5414 -1.1131 H 1 UNL1111 0.1709 45 H 1.2618 -0.5277 1.6493 H 1 UNL1111 0.1558 46 H 0.0526 -1.7573 2.2243 H 1 UNL1111 0.1448 47 H -3.1646 -3.0818 -1.2701 H 1 UNL1111 0.1542 48 H 1.1551 -1.7585 -1.9802 H 1 UNL1111 0.1522 49 H 0.4714 -0.3206 -1.2247 H 1 UNL1111 0.1699 50 H -5.9036 1.1376 -3.0244 H 1 UNL1111 0.3527 51 H -0.2526 -4.4506 0.6385 H 1 UNL1111 0.3072 52 H 1.9258 1.3415 -0.3149 H 1 UNL1111 0.1626 53 H 3.4804 -2.5850 -1.1495 H 1 UNL1111 0.1496 54 H 4.2279 2.1530 0.1330 H 1 UNL1111 0.1581 55 H 5.7769 -1.7751 -0.6855 H 1 UNL1111 0.1543 56 H 6.4652 2.1332 -1.6310 H 1 UNL1111 0.1570 57 H 6.8314 -0.5888 1.6799 H 1 UNL1111 0.1549 58 H 8.7813 2.9324 -1.2297 H 1 UNL1111 0.1497 59 H 9.1452 0.2164 2.0840 H 1 UNL1111 0.1489 60 H 10.1224 1.9715 0.6272 H 1 UNL1111 0.1478 @BOND 1 1 17 1 2 1 18 1 3 2 11 1 4 2 50 1 5 3 13 1 6 3 51 1 7 4 11 2 8 5 6 1 9 5 7 1 10 5 10 1 11 5 11 1 12 6 8 1 13 6 33 1 14 6 34 1 15 7 9 1 16 7 35 1 17 7 36 1 18 8 9 1 19 8 37 1 20 8 38 1 21 9 39 1 22 9 40 1 23 10 14 ar 24 10 16 ar 25 12 13 1 26 12 18 1 27 12 20 1 28 12 41 1 29 13 15 1 30 13 42 1 31 14 17 ar 32 14 43 1 33 15 17 ar 34 15 19 ar 35 16 19 ar 36 16 44 1 37 18 45 1 38 18 46 1 39 19 47 1 40 20 21 1 41 20 48 1 42 20 49 1 43 21 22 ar 44 21 23 ar 45 22 24 ar 46 22 52 1 47 23 25 ar 48 23 53 1 49 24 26 ar 50 24 54 1 51 25 26 ar 52 25 55 1 53 26 27 1 54 27 28 ar 55 27 29 ar 56 28 30 ar 57 28 56 1 58 29 31 ar 59 29 57 1 60 30 32 ar 61 30 58 1 62 31 32 ar 63 31 59 1 64 32 60 1