@MOLECULE (4z,6z,8r,9r,10z,12r,13r,14r,16s)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate 80 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8690 -2.9022 -0.0432 O.3 1 UNL1111111111 -0.4227 2 O -1.6399 -4.3324 -0.3261 O.3 1 UNL1111111111 -0.5746 3 O 1.7073 0.3159 2.2578 O.3 1 UNL1111111111 -0.4324 4 O -3.3129 2.5003 0.7758 O.2 1 UNL1111111111 -0.2812 5 O 3.6628 -1.7409 1.6260 O.3 1 UNL1111111111 -0.3507 6 O -0.6843 2.0136 -3.0040 O.2 1 UNL1111111111 -0.3767 7 O -1.0925 3.9638 1.8045 O.2 1 UNL1111111111 -0.4754 8 O -0.4166 1.0273 1.7843 O.2 1 UNL1111111111 -0.5865 9 O 0.9010 0.0254 -2.1558 O.2 1 UNL1111111111 -0.4667 10 N 1.7149 2.0356 -1.4934 N.am 1 UNL1111111111 -0.5533 11 N 0.8503 2.0596 3.3877 N.am 1 UNL1111111111 -0.6751 12 C -2.6503 -2.2115 0.2359 C.3 1 UNL1111111111 0.0541 13 C -2.7930 -0.7189 -0.0581 C.3 1 UNL1111111111 -0.3413 14 C -2.8742 -0.3295 -1.5426 C.3 1 UNL1111111111 -0.0534 15 C -1.6296 -2.9532 -0.6622 C.3 1 UNL1111111111 0.1253 16 C -0.1873 -2.4627 -0.4147 C.3 1 UNL1111111111 -0.1194 17 C -3.1086 1.1980 -1.6665 C.3 1 UNL1111111111 -0.2589 18 C -4.0170 -1.0469 -2.2655 C.3 1 UNL1111111111 -0.4571 19 C 0.2183 -2.7239 1.0007 C.2 1 UNL1111111111 -0.1718 20 C 0.7696 -3.1902 -1.3675 C.3 1 UNL1111111111 -0.4290 21 C -2.0026 1.9680 -1.0353 C.2 1 UNL1111111111 -0.2079 22 C 0.9920 -1.9260 1.7471 C.2 1 UNL1111111111 -0.0346 23 C 1.5903 -0.6624 1.2069 C.3 1 UNL1111111111 0.1170 24 C -2.1042 2.5587 0.1773 C.2 1 UNL1111111111 0.1591 25 C -0.7592 2.0774 -1.8051 C.2 1 UNL1111111111 0.4606 26 C -4.8273 -2.8187 0.9907 C.3 1 UNL1111111111 -0.1886 27 C 3.0400 -0.8683 0.6947 C.3 1 UNL1111111111 0.0469 28 C 1.3213 -2.2624 3.1616 C.3 1 UNL1111111111 -0.4347 29 C 0.4754 2.4313 -0.9879 C.2 1 UNL1111111111 0.1882 30 C -0.9591 3.3026 0.7991 C.2 1 UNL1111111111 0.4897 31 C 0.3473 3.1465 0.1481 C.2 1 UNL1111111111 -0.4054 32 C 3.8114 0.4197 0.6894 C.2 1 UNL1111111111 -0.1368 33 C 4.3558 0.9900 -0.3888 C.2 1 UNL1111111111 -0.2254 34 C 0.6152 1.1124 2.4219 C.2 1 UNL1111111111 0.7402 35 C 1.8549 0.7635 -2.0739 C.2 1 UNL1111111111 0.5912 36 C -3.3294 2.5642 2.2022 C.3 1 UNL1111111111 -0.1996 37 C 4.7776 -2.4264 1.0847 C.3 1 UNL1111111111 -0.2109 38 C 3.2221 0.3942 -2.5273 C.2 1 UNL1111111111 -0.0848 39 C 4.3094 0.4698 -1.7514 C.2 1 UNL1111111111 -0.1409 40 C 3.2371 -0.1321 -3.9167 C.3 1 UNL1111111111 -0.4402 41 H -2.3811 -2.3646 1.3071 H 1 UNL1111111111 0.1306 42 H -3.6880 -0.3317 0.4678 H 1 UNL1111111111 0.1510 43 H -1.9352 -0.1832 0.4105 H 1 UNL1111111111 0.1759 44 H -1.9054 -0.5780 -2.0424 H 1 UNL1111111111 0.1462 45 H -1.9029 -2.8786 -1.7372 H 1 UNL1111111111 0.1330 46 H -0.1648 -1.3645 -0.6484 H 1 UNL1111111111 0.1635 47 H -3.1904 1.4668 -2.7427 H 1 UNL1111111111 0.1591 48 H -4.0883 1.4614 -1.2187 H 1 UNL1111111111 0.1542 49 H -4.0825 -0.7415 -3.3140 H 1 UNL1111111111 0.1368 50 H -3.8834 -2.1360 -2.2458 H 1 UNL1111111111 0.1572 51 H -4.9820 -0.8463 -1.7892 H 1 UNL1111111111 0.1432 52 H -0.1679 -3.6645 1.4040 H 1 UNL1111111111 0.1717 53 H 0.6133 -4.2766 -1.3215 H 1 UNL1111111111 0.1616 54 H 1.8143 -2.9948 -1.1111 H 1 UNL1111111111 0.1312 55 H 0.6112 -2.8681 -2.4031 H 1 UNL1111111111 0.1476 56 H -2.5674 -4.6361 -0.2318 H 1 UNL1111111111 0.3288 57 H 0.9685 -0.2214 0.3820 H 1 UNL1111111111 0.1697 58 H -4.4519 -3.2787 1.9099 H 1 UNL1111111111 0.1193 59 H -5.1238 -1.7794 1.1691 H 1 UNL1111111111 0.1232 60 H -5.6751 -3.3890 0.5925 H 1 UNL1111111111 0.1396 61 H 2.9916 -1.3524 -0.3111 H 1 UNL1111111111 0.1469 62 H 1.2395 -1.3873 3.8213 H 1 UNL1111111111 0.1559 63 H 0.6688 -3.0429 3.5717 H 1 UNL1111111111 0.1467 64 H 2.3594 -2.6236 3.2448 H 1 UNL1111111111 0.1677 65 H 1.1917 3.5581 0.6938 H 1 UNL1111111111 0.1841 66 H 3.9375 0.8514 1.6871 H 1 UNL1111111111 0.1709 67 H 2.5328 2.5947 -1.2824 H 1 UNL1111111111 0.3219 68 H 4.9442 1.9095 -0.2921 H 1 UNL1111111111 0.1606 69 H -4.3194 2.1560 2.4364 H 1 UNL1111111111 0.1394 70 H -3.2443 3.6066 2.5269 H 1 UNL1111111111 0.1487 71 H -2.5381 1.9469 2.6433 H 1 UNL1111111111 0.1557 72 H 5.1500 -2.9997 1.9434 H 1 UNL1111111111 0.1476 73 H 5.5431 -1.7290 0.7339 H 1 UNL1111111111 0.1221 74 H 4.4655 -3.1036 0.2831 H 1 UNL1111111111 0.1268 75 H 5.2860 0.1425 -2.1293 H 1 UNL1111111111 0.1665 76 H 2.9715 0.6491 -4.6474 H 1 UNL1111111111 0.1677 77 H 4.2120 -0.5379 -4.2144 H 1 UNL1111111111 0.1544 78 H 2.4928 -0.9410 -4.0428 H 1 UNL1111111111 0.1847 79 H 1.7193 2.1209 3.8700 H 1 UNL1111111111 0.3148 80 H 0.1919 2.8161 3.4842 H 1 UNL1111111111 0.3374 @BOND 1 1 12 1 2 1 26 1 3 2 15 1 4 2 56 1 5 3 23 1 6 3 34 1 7 4 24 1 8 4 36 1 9 5 27 1 10 5 37 1 11 6 25 2 12 7 30 2 13 8 34 2 14 9 35 2 15 10 29 1 16 10 35 am 17 10 67 1 18 11 34 am 19 11 79 1 20 11 80 1 21 12 13 1 22 12 15 1 23 12 41 1 24 13 14 1 25 13 42 1 26 13 43 1 27 14 17 1 28 14 18 1 29 14 44 1 30 15 16 1 31 15 45 1 32 16 19 1 33 16 20 1 34 16 46 1 35 17 21 1 36 17 47 1 37 17 48 1 38 18 49 1 39 18 50 1 40 18 51 1 41 19 22 2 42 19 52 1 43 20 53 1 44 20 54 1 45 20 55 1 46 21 24 2 47 21 25 1 48 22 23 1 49 22 28 1 50 23 27 1 51 23 57 1 52 24 30 1 53 25 29 1 54 26 58 1 55 26 59 1 56 26 60 1 57 27 32 1 58 27 61 1 59 28 62 1 60 28 63 1 61 28 64 1 62 29 31 2 63 30 31 1 64 31 65 1 65 32 33 2 66 32 66 1 67 33 39 1 68 33 68 1 69 35 38 1 70 36 69 1 71 36 70 1 72 36 71 1 73 37 72 1 74 37 73 1 75 37 74 1 76 38 39 2 77 38 40 1 78 39 75 1 79 40 76 1 80 40 77 1 81 40 78 1