@MOLECULE (1r,2s,4s,8r,9s,12s,13r,19r,20r)-20-hydroxy-9,13-dimethyl-5-oxa-16-azahexacyclo[10.9.0.0~2,9~.0~4,8~.0~13,19~.0~16,20~]henicosan-6-one 56 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7873 -2.4622 0.8973 O.3 1 UNL1111111111 -0.5567 2 O 4.2989 -1.4881 -0.0133 O.3 1 UNL1111111111 -0.4113 3 O 5.9331 -0.6248 1.2243 O.2 1 UNL1111111111 -0.4492 4 N -3.7238 -1.2140 -0.7773 N.3 1 UNL1111111111 -0.4080 5 C -0.2860 -0.2369 -0.0036 C.3 1 UNL1111111111 -0.1171 6 C -0.9561 1.1149 -0.3670 C.3 1 UNL1111111111 -0.1467 7 C -2.4096 1.2208 0.2103 C.3 1 UNL1111111111 0.0728 8 C 1.0754 -0.2795 -0.6933 C.3 1 UNL1111111111 -0.1363 9 C 2.0064 0.8622 -0.1791 C.3 1 UNL1111111111 0.0767 10 C -2.7700 -0.0267 1.0601 C.3 1 UNL1111111111 -0.2187 11 C -2.5529 -1.2823 0.1482 C.3 1 UNL1111111111 0.4198 12 C -1.1700 -1.3883 -0.4930 C.3 1 UNL1111111111 -0.3600 13 C 3.3228 0.5140 -0.9314 C.3 1 UNL1111111111 -0.1830 14 C -0.0482 2.2977 0.0234 C.3 1 UNL1111111111 -0.2707 15 C 1.3633 2.1911 -0.5864 C.3 1 UNL1111111111 -0.2972 16 C 1.9384 -1.5416 -0.5429 C.3 1 UNL1111111111 -0.3157 17 C -3.3907 1.3027 -0.9917 C.3 1 UNL1111111111 -0.3402 18 C 3.3308 -1.0533 -0.9722 C.3 1 UNL1111111111 0.1097 19 C -4.2826 -0.1447 1.3610 C.3 1 UNL1111111111 -0.3010 20 C -3.5662 -0.0618 -1.6982 C.3 1 UNL1111111111 -0.1166 21 C -4.8556 -0.9751 0.1698 C.3 1 UNL1111111111 -0.1097 22 C -2.6111 2.4670 1.0830 C.3 1 UNL1111111111 -0.4665 23 C 2.2131 0.8215 1.3385 C.3 1 UNL1111111111 -0.4602 24 C 4.6317 0.8585 -0.2270 C.3 1 UNL1111111111 -0.3904 25 C 5.0612 -0.4333 0.4261 C.2 1 UNL1111111111 0.6025 26 H -0.1555 -0.3126 1.1002 H 1 UNL1111111111 0.1448 27 H -1.0387 1.1382 -1.4842 H 1 UNL1111111111 0.1411 28 H 0.8991 -0.1216 -1.7891 H 1 UNL1111111111 0.1382 29 H -2.1703 -0.0560 1.9824 H 1 UNL1111111111 0.1425 30 H -1.2436 -1.4005 -1.5966 H 1 UNL1111111111 0.1654 31 H -0.7165 -2.3688 -0.2415 H 1 UNL1111111111 0.1692 32 H 3.2945 0.9401 -1.9517 H 1 UNL1111111111 0.1476 33 H 0.0323 2.3709 1.1238 H 1 UNL1111111111 0.1446 34 H -0.5094 3.2446 -0.3159 H 1 UNL1111111111 0.1359 35 H 1.3054 2.2776 -1.6863 H 1 UNL1111111111 0.1361 36 H 1.9812 3.0429 -0.2497 H 1 UNL1111111111 0.1383 37 H 1.9545 -1.9137 0.4977 H 1 UNL1111111111 0.1707 38 H 1.5797 -2.3770 -1.1607 H 1 UNL1111111111 0.1507 39 H -3.0456 2.0611 -1.7145 H 1 UNL1111111111 0.1404 40 H -4.3760 1.6607 -0.6412 H 1 UNL1111111111 0.1471 41 H 3.6687 -1.4681 -1.9375 H 1 UNL1111111111 0.1337 42 H -4.7763 0.8309 1.4506 H 1 UNL1111111111 0.1370 43 H -4.4472 -0.6724 2.3129 H 1 UNL1111111111 0.1439 44 H -4.4612 -0.0368 -2.3571 H 1 UNL1111111111 0.1423 45 H -2.7027 -0.2680 -2.3655 H 1 UNL1111111111 0.1389 46 H -5.2046 -1.9722 0.5134 H 1 UNL1111111111 0.1599 47 H -5.7015 -0.4758 -0.3263 H 1 UNL1111111111 0.1275 48 H -2.4500 3.3912 0.5185 H 1 UNL1111111111 0.1474 49 H -3.6318 2.5149 1.4822 H 1 UNL1111111111 0.1490 50 H -1.9355 2.4706 1.9454 H 1 UNL1111111111 0.1498 51 H 2.7407 -0.0875 1.6540 H 1 UNL1111111111 0.1589 52 H 2.7889 1.6835 1.6905 H 1 UNL1111111111 0.1428 53 H 1.2611 0.8378 1.8821 H 1 UNL1111111111 0.1538 54 H 4.5319 1.6708 0.5158 H 1 UNL1111111111 0.1861 55 H 5.4101 1.2032 -0.9349 H 1 UNL1111111111 0.1772 56 H -2.1673 -2.5192 1.6460 H 1 UNL1111111111 0.3131 @BOND 1 1 11 1 2 1 56 1 3 2 18 1 4 2 25 1 5 3 25 2 6 4 11 1 7 4 20 1 8 4 21 1 9 5 6 1 10 5 8 1 11 5 12 1 12 5 26 1 13 6 7 1 14 6 14 1 15 6 27 1 16 7 10 1 17 7 17 1 18 7 22 1 19 8 9 1 20 8 16 1 21 8 28 1 22 9 13 1 23 9 15 1 24 9 23 1 25 10 11 1 26 10 19 1 27 10 29 1 28 11 12 1 29 12 30 1 30 12 31 1 31 13 18 1 32 13 24 1 33 13 32 1 34 14 15 1 35 14 33 1 36 14 34 1 37 15 35 1 38 15 36 1 39 16 18 1 40 16 37 1 41 16 38 1 42 17 20 1 43 17 39 1 44 17 40 1 45 18 41 1 46 19 21 1 47 19 42 1 48 19 43 1 49 20 44 1 50 20 45 1 51 21 46 1 52 21 47 1 53 22 48 1 54 22 49 1 55 22 50 1 56 23 51 1 57 23 52 1 58 23 53 1 59 24 25 1 60 24 54 1 61 24 55 1