@MOLECULE methyl 3-(9-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0~2,13~.0~3,7~.0~7,11~]hexadec-2-yl)propanoate 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9005 -1.8789 -1.7695 O.3 1 UNL1111111111 -0.5714 2 O -4.6231 -1.7382 0.1450 O.3 1 UNL1111111111 -0.4266 3 O -4.3008 0.4470 -0.2635 O.2 1 UNL1111111111 -0.5068 4 N 2.0632 0.9088 0.9730 N.3 1 UNL1111111111 -0.5411 5 C 0.0085 -0.0315 -0.1008 C.3 1 UNL1111111111 -0.0192 6 C 1.8719 -1.5846 0.8251 C.3 1 UNL1111111111 0.0046 7 C 0.5240 -0.2383 -1.5393 C.3 1 UNL1111111111 0.0694 8 C 0.3560 -1.2365 0.8246 C.3 1 UNL1111111111 -0.1350 9 C 2.5420 -0.3219 0.2437 C.3 1 UNL1111111111 0.0297 10 C 2.0848 -0.4930 -1.2999 C.3 1 UNL1111111111 -0.1852 11 C 0.9311 1.2876 0.1284 C.3 1 UNL1111111111 -0.0353 12 C 2.2307 -2.6932 -0.1850 C.3 1 UNL1111111111 -0.3630 13 C 2.5053 -1.9602 -1.5171 C.3 1 UNL1111111111 0.1470 14 C 2.2737 -1.9182 2.2660 C.3 1 UNL1111111111 -0.2955 15 C -0.0205 -1.0056 2.3021 C.3 1 UNL1111111111 -0.2781 16 C 0.2043 1.1077 -2.3258 C.3 1 UNL1111111111 -0.2947 17 C 0.0446 2.5145 -0.0048 C.3 1 UNL1111111111 -0.1251 18 C -1.5093 0.1951 0.0395 C.3 1 UNL1111111111 -0.2792 19 C 1.0121 -1.7801 3.1349 C.3 1 UNL1111111111 -0.2665 20 C -0.3179 2.3837 -1.5468 C.3 1 UNL1111111111 -0.2822 21 C -0.1325 -1.3722 -2.3203 C.3 1 UNL1111111111 -0.4723 22 C 0.7623 3.8426 0.3060 C.3 1 UNL1111111111 -0.0648 23 C -2.3986 -1.0572 0.0246 C.3 1 UNL1111111111 -0.3521 24 C 1.2029 3.8733 1.7748 C.3 1 UNL1111111111 -0.4559 25 C -0.1759 5.0266 0.0318 C.3 1 UNL1111111111 -0.4578 26 C -3.8380 -0.6431 -0.0544 C.2 1 UNL1111111111 0.6055 27 C -6.0284 -1.5203 0.1071 C.3 1 UNL1111111111 -0.1670 28 H -0.1953 -2.1268 0.4469 H 1 UNL1111111111 0.1370 29 H 3.6486 -0.3231 0.2926 H 1 UNL1111111111 0.1598 30 H 2.6823 0.1738 -1.9458 H 1 UNL1111111111 0.1602 31 H 1.6256 1.5685 -0.7735 H 1 UNL1111111111 0.1874 32 H 3.1268 -3.2475 0.1414 H 1 UNL1111111111 0.1516 33 H 1.4275 -3.4372 -0.2800 H 1 UNL1111111111 0.1466 34 H 2.0554 -2.4531 -2.3971 H 1 UNL1111111111 0.1215 35 H 1.8283 0.7029 1.9401 H 1 UNL1111111111 0.2578 36 H 3.0715 -1.2396 2.6177 H 1 UNL1111111111 0.1469 37 H 2.6952 -2.9331 2.3473 H 1 UNL1111111111 0.1392 38 H -0.0092 0.0687 2.5545 H 1 UNL1111111111 0.1433 39 H -1.0444 -1.3485 2.5205 H 1 UNL1111111111 0.1350 40 H 1.1121 1.3949 -2.8829 H 1 UNL1111111111 0.1350 41 H -0.5554 0.8899 -3.0957 H 1 UNL1111111111 0.1405 42 H -0.8713 2.4747 0.6165 H 1 UNL1111111111 0.1426 43 H -1.7000 0.7471 0.9840 H 1 UNL1111111111 0.1518 44 H -1.8792 0.8567 -0.7735 H 1 UNL1111111111 0.1734 45 H 0.6202 -2.7754 3.4062 H 1 UNL1111111111 0.1354 46 H 1.2305 -1.2679 4.0850 H 1 UNL1111111111 0.1346 47 H -1.4134 2.4409 -1.6510 H 1 UNL1111111111 0.1391 48 H 0.0810 3.2635 -2.0786 H 1 UNL1111111111 0.1369 49 H -0.0916 -2.3247 -1.7814 H 1 UNL1111111111 0.1453 50 H 0.3443 -1.5117 -3.2983 H 1 UNL1111111111 0.1497 51 H -1.1919 -1.1578 -2.5149 H 1 UNL1111111111 0.1534 52 H 1.6681 3.9340 -0.3396 H 1 UNL1111111111 0.1353 53 H -2.1570 -1.7128 -0.8381 H 1 UNL1111111111 0.1805 54 H -2.2422 -1.6873 0.9261 H 1 UNL1111111111 0.1783 55 H 4.3186 -2.7563 -1.7241 H 1 UNL1111111111 0.3132 56 H 2.0209 3.1613 1.9521 H 1 UNL1111111111 0.1652 57 H 1.5714 4.8631 2.0596 H 1 UNL1111111111 0.1373 58 H 0.3213 5.9787 0.2443 H 1 UNL1111111111 0.1392 59 H -0.5040 5.0556 -1.0116 H 1 UNL1111111111 0.1390 60 H -1.0731 4.9777 0.6586 H 1 UNL1111111111 0.1463 61 H 0.3825 3.6151 2.4501 H 1 UNL1111111111 0.1391 62 H -6.3266 -0.8628 0.9305 H 1 UNL1111111111 0.1384 63 H -6.3226 -1.0840 -0.8532 H 1 UNL1111111111 0.1392 64 H -6.4396 -2.5286 0.2305 H 1 UNL1111111111 0.1437 @BOND 1 1 13 1 2 1 55 1 3 2 26 1 4 2 27 1 5 3 26 2 6 4 9 1 7 4 11 1 8 4 35 1 9 5 7 1 10 5 8 1 11 5 11 1 12 5 18 1 13 6 8 1 14 6 9 1 15 6 12 1 16 6 14 1 17 7 10 1 18 7 16 1 19 7 21 1 20 8 15 1 21 8 28 1 22 9 10 1 23 9 29 1 24 10 13 1 25 10 30 1 26 11 17 1 27 11 31 1 28 12 13 1 29 12 32 1 30 12 33 1 31 13 34 1 32 14 19 1 33 14 36 1 34 14 37 1 35 15 19 1 36 15 38 1 37 15 39 1 38 16 20 1 39 16 40 1 40 16 41 1 41 17 20 1 42 17 22 1 43 17 42 1 44 18 23 1 45 18 43 1 46 18 44 1 47 19 45 1 48 19 46 1 49 20 47 1 50 20 48 1 51 21 49 1 52 21 50 1 53 21 51 1 54 22 24 1 55 22 25 1 56 22 52 1 57 23 26 1 58 23 53 1 59 23 54 1 60 24 56 1 61 24 57 1 62 24 61 1 63 25 58 1 64 25 59 1 65 25 60 1 66 27 62 1 67 27 63 1 68 27 64 1