@MOLECULE (5z)-7-[(1r,2s,3s,5s)-3-{[(2s)-2-hydroxy-3-phenylpropyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4438 -3.6394 -0.9388 O.3 1 UNL1111111111 -0.5741 2 O -0.0594 1.6681 -2.2330 O.3 1 UNL1111111111 -0.5793 3 O 1.3851 3.2083 -1.5451 O.2 1 UNL1111111111 -0.5181 4 N 0.2806 -1.3428 -0.0601 N.3 1 UNL1111111111 -0.5806 5 C 3.7343 -0.1033 0.8440 C.3 1 UNL1111111111 -0.1415 6 C 4.3047 -0.5168 -0.5661 C.3 1 UNL1111111111 0.0719 7 C 4.0477 -1.9995 -0.0896 C.3 1 UNL1111111111 -0.1220 8 C 4.1867 -1.4980 1.3848 C.3 1 UNL1111111111 -0.3105 9 C 2.1961 -0.0482 0.7971 C.3 1 UNL1111111111 -0.1248 10 C 2.5884 -2.3819 -0.3256 C.3 1 UNL1111111111 -0.3410 11 C 1.6277 -1.4796 0.5216 C.3 1 UNL1111111111 0.0676 12 C 3.5945 -0.0090 -1.8053 C.3 1 UNL1111111111 -0.4662 13 C 5.7939 -0.2076 -0.6932 C.3 1 UNL1111111111 -0.4615 14 C 1.6662 0.4967 2.1375 C.3 1 UNL1111111111 -0.2930 15 C 0.1889 0.7378 2.1351 C.2 1 UNL1111111111 -0.1234 16 C -0.3442 -2.6300 -0.3969 C.3 1 UNL1111111111 -0.1577 17 C -1.8607 -2.3892 -0.6005 C.3 1 UNL1111111111 0.1712 18 C -0.4029 1.9056 1.8672 C.2 1 UNL1111111111 -0.1921 19 C -2.5651 -1.9701 0.6973 C.3 1 UNL1111111111 -0.3166 20 C 0.3196 3.1421 1.4491 C.3 1 UNL1111111111 -0.2775 21 C -3.6940 -1.0397 0.3875 C.ar 1 UNL1111111111 0.0263 22 C -0.5221 4.0173 0.5105 C.3 1 UNL1111111111 -0.2478 23 C -0.9342 3.2591 -0.7538 C.3 1 UNL1111111111 -0.3376 24 C -3.4867 0.3412 0.4167 C.ar 1 UNL1111111111 -0.1823 25 C -4.9498 -1.5440 0.0426 C.ar 1 UNL1111111111 -0.1684 26 C -4.5309 1.2108 0.1138 C.ar 1 UNL1111111111 -0.1425 27 C -5.9925 -0.6726 -0.2618 C.ar 1 UNL1111111111 -0.1445 28 C 0.2634 2.7778 -1.5051 C.2 1 UNL1111111111 0.6629 29 C -5.7851 0.7052 -0.2247 C.ar 1 UNL1111111111 -0.1694 30 H 4.1943 0.7726 1.3060 H 1 UNL1111111111 0.1396 31 H 4.7613 -2.7457 -0.4342 H 1 UNL1111111111 0.1337 32 H 3.5481 -1.9749 2.1256 H 1 UNL1111111111 0.1406 33 H 5.2074 -1.5201 1.7720 H 1 UNL1111111111 0.1383 34 H 1.8784 0.6499 -0.0118 H 1 UNL1111111111 0.1492 35 H 2.4265 -3.4366 -0.0456 H 1 UNL1111111111 0.1386 36 H 2.3486 -2.3154 -1.3997 H 1 UNL1111111111 0.1438 37 H 1.4923 -1.9861 1.5167 H 1 UNL1111111111 0.1393 38 H 2.5417 -0.3012 -1.8483 H 1 UNL1111111111 0.1397 39 H 3.6280 1.0897 -1.8431 H 1 UNL1111111111 0.1603 40 H 4.0717 -0.3872 -2.7173 H 1 UNL1111111111 0.1499 41 H 5.9584 0.8682 -0.8233 H 1 UNL1111111111 0.1510 42 H 6.3629 -0.5178 0.1889 H 1 UNL1111111111 0.1452 43 H 6.2309 -0.7185 -1.5582 H 1 UNL1111111111 0.1459 44 H 2.2128 1.4297 2.3920 H 1 UNL1111111111 0.1441 45 H 1.9192 -0.2196 2.9485 H 1 UNL1111111111 0.1443 46 H 0.2507 -0.6768 -0.8239 H 1 UNL1111111111 0.2673 47 H -0.4067 -0.1382 2.3973 H 1 UNL1111111111 0.1504 48 H -0.2001 -3.3509 0.4388 H 1 UNL1111111111 0.1545 49 H 0.0836 -3.1069 -1.3023 H 1 UNL1111111111 0.1137 50 H -2.0459 -1.6647 -1.4227 H 1 UNL1111111111 0.1209 51 H -1.4855 2.0126 1.9383 H 1 UNL1111111111 0.1421 52 H -2.9226 -2.8773 1.2300 H 1 UNL1111111111 0.1704 53 H -1.8289 -1.4920 1.3814 H 1 UNL1111111111 0.1790 54 H 1.2813 2.8915 0.9509 H 1 UNL1111111111 0.1625 55 H 0.6063 3.7245 2.3513 H 1 UNL1111111111 0.1449 56 H -2.2623 -3.8763 -1.8647 H 1 UNL1111111111 0.3121 57 H 0.0579 4.9224 0.2370 H 1 UNL1111111111 0.1468 58 H -1.4241 4.3795 1.0397 H 1 UNL1111111111 0.1407 59 H -1.5910 2.3947 -0.4929 H 1 UNL1111111111 0.1925 60 H -1.5491 3.9039 -1.4180 H 1 UNL1111111111 0.1730 61 H -2.5011 0.7295 0.6730 H 1 UNL1111111111 0.1595 62 H -5.1045 -2.6209 0.0023 H 1 UNL1111111111 0.1600 63 H -4.3687 2.2854 0.1406 H 1 UNL1111111111 0.1407 64 H -6.9692 -1.0689 -0.5301 H 1 UNL1111111111 0.1451 65 H -6.5999 1.3836 -0.4620 H 1 UNL1111111111 0.1433 66 H 0.6758 1.3423 -2.8018 H 1 UNL1111111111 0.3493 @BOND 1 1 17 1 2 1 56 1 3 2 28 1 4 2 66 1 5 3 28 2 6 4 11 1 7 4 16 1 8 4 46 1 9 5 6 1 10 5 8 1 11 5 9 1 12 5 30 1 13 6 7 1 14 6 12 1 15 6 13 1 16 7 8 1 17 7 10 1 18 7 31 1 19 8 32 1 20 8 33 1 21 9 11 1 22 9 14 1 23 9 34 1 24 10 11 1 25 10 35 1 26 10 36 1 27 11 37 1 28 12 38 1 29 12 39 1 30 12 40 1 31 13 41 1 32 13 42 1 33 13 43 1 34 14 15 1 35 14 44 1 36 14 45 1 37 15 18 2 38 15 47 1 39 16 17 1 40 16 48 1 41 16 49 1 42 17 19 1 43 17 50 1 44 18 20 1 45 18 51 1 46 19 21 1 47 19 52 1 48 19 53 1 49 20 22 1 50 20 54 1 51 20 55 1 52 21 24 ar 53 21 25 ar 54 22 23 1 55 22 57 1 56 22 58 1 57 23 28 1 58 23 59 1 59 23 60 1 60 24 26 ar 61 24 61 1 62 25 27 ar 63 25 62 1 64 26 29 ar 65 26 63 1 66 27 29 ar 67 27 64 1 68 29 65 1