@MOLECULE (5e)-7-(3-{[2-hydroxy-3-(4-methoxyphenyl)propyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid 70 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5270 4.5763 -0.7704 O.3 1 UNL1111111111 -0.5738 2 O 6.0313 -0.9988 -0.7845 O.3 1 UNL1111111111 -0.5668 3 O 4.0829 0.0767 2.6243 O.3 1 UNL1111111111 -0.3246 4 O 4.7057 -2.5351 0.1286 O.2 1 UNL1111111111 -0.5335 5 N -1.9928 1.2618 -0.1325 N.3 1 UNL1111111111 -0.5754 6 C -4.1171 -1.7944 -0.0028 C.3 1 UNL1111111111 -0.1449 7 C -4.7114 -1.2337 1.3469 C.3 1 UNL1111111111 0.0656 8 C -5.4302 -0.1663 0.4343 C.3 1 UNL1111111111 -0.1232 9 C -5.3457 -1.1829 -0.7476 C.3 1 UNL1111111111 -0.3103 10 C -2.8596 -1.0158 -0.4059 C.3 1 UNL1111111111 -0.1154 11 C -4.4872 0.9933 0.1296 C.3 1 UNL1111111111 -0.3386 12 C -3.1818 0.5109 -0.5881 C.3 1 UNL1111111111 0.0609 13 C -5.7064 -2.2057 1.9770 C.3 1 UNL1111111111 -0.4638 14 C -3.7581 -0.7544 2.4224 C.3 1 UNL1111111111 -0.4595 15 C -2.2829 -1.6178 -1.7060 C.3 1 UNL1111111111 -0.2938 16 C -0.9336 -1.0506 -2.0005 C.2 1 UNL1111111111 -0.1497 17 C -1.9343 2.6433 -0.6464 C.3 1 UNL1111111111 -0.1707 18 C -0.5455 3.2378 -0.2954 C.3 1 UNL1111111111 0.1690 19 C 0.1471 -1.8004 -2.2303 C.2 1 UNL1111111111 -0.1803 20 C 0.6137 2.5562 -1.0423 C.3 1 UNL1111111111 -0.2947 21 C 1.4911 -1.1977 -2.4914 C.3 1 UNL1111111111 -0.2730 22 C 1.5233 1.8617 -0.0790 C.ar 1 UNL1111111111 -0.0752 23 C 2.5355 -1.8266 -1.5577 C.3 1 UNL1111111111 -0.2493 24 C 3.8152 -0.9877 -1.5363 C.3 1 UNL1111111111 -0.3554 25 C 2.7362 2.4490 0.2965 C.ar 1 UNL1111111111 -0.1048 26 C 1.1558 0.6288 0.4607 C.ar 1 UNL1111111111 -0.0975 27 C 3.5754 1.8149 1.2011 C.ar 1 UNL1111111111 -0.2603 28 C 1.9753 -0.0207 1.3803 C.ar 1 UNL1111111111 -0.2967 29 C 4.8290 -1.6181 -0.6421 C.2 1 UNL1111111111 0.6594 30 C 3.1812 0.5803 1.7407 C.ar 1 UNL1111111111 0.2418 31 C 3.8539 -1.2424 3.1025 C.3 1 UNL1111111111 -0.2082 32 H -3.9962 -2.8766 -0.0513 H 1 UNL1111111111 0.1378 33 H -6.4240 0.1469 0.7528 H 1 UNL1111111111 0.1350 34 H -5.1589 -0.7654 -1.7346 H 1 UNL1111111111 0.1413 35 H -6.2030 -1.8535 -0.8273 H 1 UNL1111111111 0.1390 36 H -2.0892 -1.1333 0.3938 H 1 UNL1111111111 0.1550 37 H -4.2437 1.5308 1.0627 H 1 UNL1111111111 0.1433 38 H -4.9975 1.7316 -0.5140 H 1 UNL1111111111 0.1387 39 H -3.3108 0.7018 -1.6844 H 1 UNL1111111111 0.1372 40 H -5.1911 -3.0720 2.4078 H 1 UNL1111111111 0.1480 41 H -6.2735 -1.7224 2.7808 H 1 UNL1111111111 0.1476 42 H -6.4336 -2.5886 1.2533 H 1 UNL1111111111 0.1471 43 H -3.2260 -1.6001 2.8776 H 1 UNL1111111111 0.1513 44 H -2.9957 -0.0641 2.0515 H 1 UNL1111111111 0.1466 45 H -4.3008 -0.2348 3.2221 H 1 UNL1111111111 0.1482 46 H -2.2410 -2.7217 -1.6096 H 1 UNL1111111111 0.1438 47 H -2.9685 -1.4269 -2.5562 H 1 UNL1111111111 0.1460 48 H -1.9016 1.2422 0.8820 H 1 UNL1111111111 0.2604 49 H -0.8903 0.0410 -1.9952 H 1 UNL1111111111 0.1652 50 H -2.0608 2.6326 -1.7511 H 1 UNL1111111111 0.1551 51 H -2.7369 3.2956 -0.2452 H 1 UNL1111111111 0.1145 52 H -0.3773 3.2463 0.8029 H 1 UNL1111111111 0.1207 53 H 0.1175 -2.8862 -2.2323 H 1 UNL1111111111 0.1407 54 H 0.2214 1.8405 -1.7937 H 1 UNL1111111111 0.1611 55 H 1.1568 3.3268 -1.6337 H 1 UNL1111111111 0.1696 56 H 1.7778 -1.3513 -3.5506 H 1 UNL1111111111 0.1409 57 H 1.4686 -0.0969 -2.3444 H 1 UNL1111111111 0.1514 58 H -1.1081 5.1504 -0.2421 H 1 UNL1111111111 0.3118 59 H 2.7552 -2.8659 -1.8657 H 1 UNL1111111111 0.1459 60 H 2.1236 -1.9038 -0.5285 H 1 UNL1111111111 0.1616 61 H 3.5968 0.0451 -1.1667 H 1 UNL1111111111 0.1972 62 H 4.2267 -0.8497 -2.5580 H 1 UNL1111111111 0.1801 63 H 3.0231 3.4140 -0.1209 H 1 UNL1111111111 0.1543 64 H 0.2127 0.1641 0.1524 H 1 UNL1111111111 0.1802 65 H 4.5226 2.2547 1.5003 H 1 UNL1111111111 0.1698 66 H 1.6711 -0.9746 1.7970 H 1 UNL1111111111 0.1647 67 H 6.7316 -1.3464 -0.1811 H 1 UNL1111111111 0.3548 68 H 4.7361 -1.4166 3.7326 H 1 UNL1111111111 0.1511 69 H 3.8333 -1.9620 2.2748 H 1 UNL1111111111 0.1553 70 H 2.9393 -1.2869 3.6994 H 1 UNL1111111111 0.1301 @BOND 1 1 18 1 2 1 58 1 3 2 29 1 4 2 67 1 5 3 30 1 6 3 31 1 7 4 29 2 8 5 12 1 9 5 17 1 10 5 48 1 11 6 7 1 12 6 9 1 13 6 10 1 14 6 32 1 15 7 8 1 16 7 13 1 17 7 14 1 18 8 9 1 19 8 11 1 20 8 33 1 21 9 34 1 22 9 35 1 23 10 12 1 24 10 15 1 25 10 36 1 26 11 12 1 27 11 37 1 28 11 38 1 29 12 39 1 30 13 40 1 31 13 41 1 32 13 42 1 33 14 43 1 34 14 44 1 35 14 45 1 36 15 16 1 37 15 46 1 38 15 47 1 39 16 19 2 40 16 49 1 41 17 18 1 42 17 50 1 43 17 51 1 44 18 20 1 45 18 52 1 46 19 21 1 47 19 53 1 48 20 22 1 49 20 54 1 50 20 55 1 51 21 23 1 52 21 56 1 53 21 57 1 54 22 25 ar 55 22 26 ar 56 23 24 1 57 23 59 1 58 23 60 1 59 24 29 1 60 24 61 1 61 24 62 1 62 25 27 ar 63 25 63 1 64 26 28 ar 65 26 64 1 66 27 30 ar 67 27 65 1 68 28 30 ar 69 28 66 1 70 31 68 1 71 31 69 1 72 31 70 1