@MOLECULE methyl 16-hydroxykauran-18-oate 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9815 -1.3228 0.0092 O.3 1 UNL1111111111 -0.5879 2 O 4.2403 0.3105 0.4400 O.3 1 UNL1111111111 -0.4145 3 O 3.1568 -1.5082 1.1439 O.2 1 UNL1111111111 -0.5290 4 C -1.6889 -0.6012 0.4420 C.3 1 UNL1111111111 0.0846 5 C -1.0735 0.7338 -0.0706 C.3 1 UNL1111111111 -0.1456 6 C 0.4859 0.7743 -0.0043 C.3 1 UNL1111111111 0.0759 7 C 0.9828 -0.4877 -0.7656 C.3 1 UNL1111111111 -0.1251 8 C -2.6692 -0.3241 1.6115 C.3 1 UNL1111111111 -0.2974 9 C -3.7748 0.4628 0.8840 C.3 1 UNL1111111111 -0.1263 10 C -2.6563 -1.1482 -0.6494 C.3 1 UNL1111111111 -0.3724 11 C -0.6557 -1.6409 0.8549 C.3 1 UNL1111111111 -0.2915 12 C -3.9878 -0.3948 -0.4037 C.3 1 UNL1111111111 0.3236 13 C -1.7224 1.9527 0.6152 C.3 1 UNL1111111111 -0.2726 14 C 0.4761 -1.8090 -0.1594 C.3 1 UNL1111111111 -0.2866 15 C -3.2612 1.8838 0.6111 C.3 1 UNL1111111111 -0.2810 16 C 2.5189 -0.4961 -0.9926 C.3 1 UNL1111111111 -0.0030 17 C 0.9453 2.0286 -0.7991 C.3 1 UNL1111111111 -0.3010 18 C 1.0259 0.8692 1.4238 C.3 1 UNL1111111111 -0.4734 19 C 2.9188 0.7792 -1.7600 C.3 1 UNL1111111111 -0.2747 20 C 2.4547 2.0512 -1.0484 C.3 1 UNL1111111111 -0.2670 21 C -4.5008 0.3335 -1.6411 C.3 1 UNL1111111111 -0.5101 22 C 2.9302 -1.7159 -1.8386 C.3 1 UNL1111111111 -0.4612 23 C 3.2791 -0.6449 0.3111 C.2 1 UNL1111111111 0.5975 24 C 5.0373 0.2359 1.6169 C.3 1 UNL1111111111 -0.1761 25 H -1.3333 0.8167 -1.1585 H 1 UNL1111111111 0.1325 26 H 0.5336 -0.4137 -1.7950 H 1 UNL1111111111 0.1404 27 H -2.2119 0.2242 2.4427 H 1 UNL1111111111 0.1417 28 H -3.0638 -1.2639 2.0321 H 1 UNL1111111111 0.1467 29 H -4.7205 0.4920 1.4623 H 1 UNL1111111111 0.1511 30 H -2.2631 -1.0096 -1.6625 H 1 UNL1111111111 0.1402 31 H -2.8066 -2.2332 -0.5235 H 1 UNL1111111111 0.1528 32 H -1.1473 -2.6201 1.0220 H 1 UNL1111111111 0.1404 33 H -0.2336 -1.3671 1.8446 H 1 UNL1111111111 0.1502 34 H -1.4000 2.8823 0.1122 H 1 UNL1111111111 0.1288 35 H -1.3617 2.0366 1.6583 H 1 UNL1111111111 0.1414 36 H 1.3034 -2.3557 0.3398 H 1 UNL1111111111 0.1669 37 H 0.1401 -2.4706 -0.9804 H 1 UNL1111111111 0.1316 38 H -3.6526 2.5681 1.3879 H 1 UNL1111111111 0.1340 39 H -3.6555 2.2738 -0.3422 H 1 UNL1111111111 0.1369 40 H 0.6539 2.9405 -0.2454 H 1 UNL1111111111 0.1390 41 H 0.4130 2.0739 -1.7670 H 1 UNL1111111111 0.1348 42 H 2.0478 1.2659 1.4472 H 1 UNL1111111111 0.1485 43 H 0.4146 1.5271 2.0494 H 1 UNL1111111111 0.1465 44 H 1.0611 -0.1109 1.9171 H 1 UNL1111111111 0.1652 45 H 2.4829 0.7416 -2.7771 H 1 UNL1111111111 0.1413 46 H 4.0168 0.8096 -1.9017 H 1 UNL1111111111 0.1476 47 H 3.0014 2.1756 -0.0923 H 1 UNL1111111111 0.1520 48 H 2.7220 2.9378 -1.6540 H 1 UNL1111111111 0.1322 49 H -5.4144 0.8954 -1.4097 H 1 UNL1111111111 0.1608 50 H -3.7589 1.0364 -2.0356 H 1 UNL1111111111 0.1576 51 H -4.7444 -0.3696 -2.4441 H 1 UNL1111111111 0.1472 52 H 2.3470 -1.7691 -2.7643 H 1 UNL1111111111 0.1554 53 H 3.9900 -1.6736 -2.1157 H 1 UNL1111111111 0.1515 54 H 2.7728 -2.6590 -1.2977 H 1 UNL1111111111 0.1650 55 H -5.2033 -1.9499 -0.6980 H 1 UNL1111111111 0.3123 56 H 4.4098 0.3651 2.5052 H 1 UNL1111111111 0.1388 57 H 5.7379 1.0690 1.4951 H 1 UNL1111111111 0.1428 58 H 5.5616 -0.7248 1.6614 H 1 UNL1111111111 0.1410 @BOND 1 1 12 1 2 1 55 1 3 2 23 1 4 2 24 1 5 3 23 2 6 4 5 1 7 4 8 1 8 4 10 1 9 4 11 1 10 5 6 1 11 5 13 1 12 5 25 1 13 6 7 1 14 6 17 1 15 6 18 1 16 7 14 1 17 7 16 1 18 7 26 1 19 8 9 1 20 8 27 1 21 8 28 1 22 9 12 1 23 9 15 1 24 9 29 1 25 10 12 1 26 10 30 1 27 10 31 1 28 11 14 1 29 11 32 1 30 11 33 1 31 12 21 1 32 13 15 1 33 13 34 1 34 13 35 1 35 14 36 1 36 14 37 1 37 15 38 1 38 15 39 1 39 16 19 1 40 16 22 1 41 16 23 1 42 17 20 1 43 17 40 1 44 17 41 1 45 18 42 1 46 18 43 1 47 18 44 1 48 19 20 1 49 19 45 1 50 19 46 1 51 20 47 1 52 20 48 1 53 21 49 1 54 21 50 1 55 21 51 1 56 22 52 1 57 22 53 1 58 22 54 1 59 24 56 1 60 24 57 1 61 24 58 1