@MOLECULE (4z,6z,8s,9s,10z,12s,13r,14s,16r)-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 -1.3055 -2.9653 1.9718 O.3 1 UNL111111111 -0.3938 2 O 1.4679 -3.8420 2.0234 O.3 1 UNL111111111 -0.5613 3 O 3.7216 -0.4478 -1.6553 O.3 1 UNL111111111 -0.4100 4 O -5.6098 -0.4117 -1.2068 O.2 1 UNL111111111 -0.3171 5 O 4.7825 1.6201 -0.7878 O.3 1 UNL111111111 -0.3447 6 O -1.0001 0.4454 -1.6039 O.2 1 UNL111111111 -0.4029 7 O -5.7869 2.1825 -0.3730 O.2 1 UNL111111111 -0.3687 8 O 2.3167 -2.2560 -1.7961 O.2 1 UNL111111111 -0.5672 9 O -1.7828 4.4046 1.0497 O.2 1 UNL111111111 -0.4657 10 N -1.0313 2.4085 0.2297 N.am 1 UNL111111111 -0.5302 11 N 4.3598 -2.2389 -2.8416 N.am 1 UNL111111111 -0.6782 12 C -0.5208 -3.1960 0.8144 C.3 1 UNL111111111 0.0662 13 C -1.0949 -2.1911 -0.1990 C.3 1 UNL111111111 -0.3150 14 C -2.5258 -2.5391 -0.6459 C.3 1 UNL111111111 -0.0563 15 C 0.9922 -2.9444 1.0344 C.3 1 UNL111111111 0.0852 16 C 1.3791 -1.5278 1.5086 C.3 1 UNL111111111 -0.1016 17 C -3.0151 -1.5698 -1.7493 C.3 1 UNL111111111 -0.2794 18 C -2.6103 -3.9683 -1.1911 C.3 1 UNL111111111 -0.4603 19 C 2.8790 -1.4636 1.5719 C.2 1 UNL111111111 -0.1429 20 C 0.8030 -1.1418 2.8708 C.3 1 UNL111111111 -0.4369 21 C -3.2541 -0.1925 -1.2413 C.2 1 UNL111111111 -0.1642 22 C 3.6501 -0.7829 0.7158 C.2 1 UNL111111111 -0.0860 23 C 3.0950 -0.0030 -0.4424 C.3 1 UNL111111111 0.1133 24 C -4.4724 0.2986 -0.9517 C.2 1 UNL111111111 0.1235 25 C -2.0697 0.6704 -1.0922 C.2 1 UNL111111111 0.4340 26 C -1.1931 -3.9452 2.9854 C.3 1 UNL111111111 -0.1967 27 C 3.4432 1.5098 -0.3304 C.3 1 UNL111111111 0.0560 28 C 5.1364 -0.7628 0.8249 C.3 1 UNL111111111 -0.4379 29 C -2.2415 1.9162 -0.2430 C.2 1 UNL111111111 0.1424 30 C -4.6851 1.7010 -0.4480 C.2 1 UNL111111111 0.4169 31 C -3.4731 2.4116 -0.0177 C.2 1 UNL111111111 -0.3627 32 C 2.4974 2.3096 -1.1777 C.2 1 UNL111111111 -0.1660 33 C 1.6825 3.2627 -0.7115 C.2 1 UNL111111111 -0.1964 34 C 3.3631 -1.7047 -2.0591 C.2 1 UNL111111111 0.7382 35 C -0.8637 3.6415 0.8773 C.2 1 UNL111111111 0.5757 36 C -6.0801 -1.1314 -0.0656 C.3 1 UNL111111111 -0.1891 37 C 5.2846 2.9430 -0.7805 C.3 1 UNL111111111 -0.2122 38 C 0.5167 3.8755 1.3955 C.2 1 UNL111111111 -0.0763 39 C 1.6363 3.7050 0.6788 C.2 1 UNL111111111 -0.1475 40 C 0.5082 4.3389 2.8083 C.3 1 UNL111111111 -0.4416 41 H -0.6619 -4.2484 0.4819 H 1 UNL111111111 0.1165 42 H -0.4173 -2.1002 -1.0741 H 1 UNL111111111 0.1743 43 H -1.1098 -1.1966 0.2909 H 1 UNL111111111 0.1500 44 H -3.1938 -2.4393 0.2442 H 1 UNL111111111 0.1409 45 H 1.5362 -3.1496 0.0758 H 1 UNL111111111 0.1483 46 H 0.9808 -0.8102 0.7435 H 1 UNL111111111 0.1389 47 H -3.9460 -1.9760 -2.2027 H 1 UNL111111111 0.1621 48 H -2.2771 -1.5498 -2.5814 H 1 UNL111111111 0.1708 49 H -2.4350 -4.7074 -0.4019 H 1 UNL111111111 0.1445 50 H -3.5996 -4.1859 -1.6134 H 1 UNL111111111 0.1420 51 H -1.8661 -4.1318 -1.9787 H 1 UNL111111111 0.1503 52 H 3.3093 -2.0423 2.3900 H 1 UNL111111111 0.1650 53 H 1.1627 -0.1614 3.1880 H 1 UNL111111111 0.1332 54 H -0.2953 -1.0994 2.8436 H 1 UNL111111111 0.1638 55 H 1.0723 -1.8781 3.6376 H 1 UNL111111111 0.1556 56 H 1.6045 -4.7276 1.6422 H 1 UNL111111111 0.3079 57 H 1.9891 -0.1301 -0.5676 H 1 UNL111111111 0.1604 58 H -0.2316 -3.8433 3.5010 H 1 UNL111111111 0.1464 59 H -1.3097 -4.9586 2.5932 H 1 UNL111111111 0.1120 60 H -2.0230 -3.7011 3.6546 H 1 UNL111111111 0.1327 61 H 3.4132 1.8059 0.7466 H 1 UNL111111111 0.1374 62 H 5.5105 0.2554 1.0180 H 1 UNL111111111 0.1635 63 H 5.6045 -1.0795 -0.1216 H 1 UNL111111111 0.1617 64 H 5.5214 -1.4126 1.6172 H 1 UNL111111111 0.1464 65 H -3.6485 3.3542 0.5117 H 1 UNL111111111 0.2220 66 H 2.5173 2.0379 -2.2367 H 1 UNL111111111 0.1747 67 H -0.1953 1.8586 -0.0013 H 1 UNL111111111 0.3395 68 H 1.0003 3.7872 -1.3898 H 1 UNL111111111 0.1698 69 H -7.0207 -1.5575 -0.4314 H 1 UNL111111111 0.1509 70 H -6.2660 -0.4595 0.7775 H 1 UNL111111111 0.1398 71 H -5.3693 -1.9205 0.2036 H 1 UNL111111111 0.1320 72 H 5.2794 3.3662 0.2264 H 1 UNL111111111 0.1183 73 H 4.7240 3.5786 -1.4761 H 1 UNL111111111 0.1308 74 H 6.3136 2.8052 -1.1368 H 1 UNL111111111 0.1468 75 H 2.6122 3.9238 1.1264 H 1 UNL111111111 0.1650 76 H 0.0209 5.3278 2.9001 H 1 UNL111111111 0.1788 77 H 1.5157 4.4261 3.2340 H 1 UNL111111111 0.1572 78 H -0.0678 3.6581 3.4567 H 1 UNL111111111 0.1681 79 H 5.1978 -1.7331 -3.0357 H 1 UNL111111111 0.3173 80 H 4.2246 -3.1219 -3.2899 H 1 UNL111111111 0.3217 @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