@MOLECULE (1s,2s,6r,7r,8r,10s,13s)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxotetracyclo[11.2.1.0~1,10~.0~2,7~]hexadec-8-yl benzoate 67 71 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4605 -0.1374 -0.4880 O.3 1 UNL1111111111 -0.4121 2 O 3.9936 -3.4832 -0.4504 O.2 1 UNL1111111111 -0.4682 3 O -1.7367 4.7634 -1.0387 O.3 1 UNL1111111111 -0.5493 4 O -2.5238 -0.8812 -2.3260 O.2 1 UNL1111111111 -0.5173 5 C 2.0194 0.0221 0.1302 C.3 1 UNL1111111111 0.0240 6 C 0.9508 0.9904 0.7385 C.3 1 UNL1111111111 0.0862 7 C 1.3315 -1.0646 -0.7423 C.3 1 UNL1111111111 -0.0932 8 C 0.1645 1.6254 -0.4437 C.3 1 UNL1111111111 -0.1867 9 C 2.8142 -0.7289 1.2280 C.3 1 UNL1111111111 -0.3046 10 C 4.0266 -1.2623 0.4421 C.3 1 UNL1111111111 -0.0210 11 C 3.1318 0.7286 -0.6959 C.3 1 UNL1111111111 -0.2940 12 C -0.7749 2.8103 -0.0866 C.3 1 UNL1111111111 0.0739 13 C -0.5218 0.5607 -1.3176 C.3 1 UNL1111111111 0.1298 14 C 0.4918 -0.4468 -1.8667 C.3 1 UNL1111111111 -0.3370 15 C 1.6482 2.1194 1.5371 C.3 1 UNL1111111111 -0.2984 16 C 4.4305 -0.0706 -0.4564 C.3 1 UNL1111111111 -0.2776 17 C 2.3446 -2.0478 -1.3584 C.3 1 UNL1111111111 -0.3993 18 C 0.0716 0.2033 1.7212 C.3 1 UNL1111111111 -0.4578 19 C 3.5013 -2.3839 -0.4476 C.2 1 UNL1111111111 0.4661 20 C -0.0028 3.8394 0.7657 C.3 1 UNL1111111111 -0.2842 21 C 0.6599 3.1985 1.9837 C.3 1 UNL1111111111 -0.2642 22 C 5.1551 -1.7497 1.3310 C.3 1 UNL1111111111 -0.4499 23 C -1.1553 3.5248 -1.4190 C.3 1 UNL1111111111 -0.0394 24 C -2.0833 2.4300 0.6067 C.3 1 UNL1111111111 -0.4504 25 C -2.4255 -0.8457 -1.1227 C.2 1 UNL1111111111 0.5966 26 C -3.2947 -1.5381 -0.1532 C.ar 1 UNL1111111111 -0.1451 27 C -4.0984 -2.5789 -0.6238 C.ar 1 UNL1111111111 -0.0800 28 C -3.3260 -1.1684 1.1916 C.ar 1 UNL1111111111 -0.0829 29 C -4.9329 -3.2569 0.2612 C.ar 1 UNL1111111111 -0.1748 30 C -4.1634 -1.8490 2.0718 C.ar 1 UNL1111111111 -0.1752 31 C -4.9640 -2.8921 1.6069 C.ar 1 UNL1111111111 -0.1024 32 H 0.6447 -1.6487 -0.0768 H 1 UNL1111111111 0.1511 33 H 0.9604 2.0805 -1.1038 H 1 UNL1111111111 0.1477 34 H 2.2337 -1.5300 1.7074 H 1 UNL1111111111 0.1485 35 H 3.1381 -0.0516 2.0345 H 1 UNL1111111111 0.1487 36 H 3.2663 1.7772 -0.3836 H 1 UNL1111111111 0.1400 37 H 2.8768 0.7666 -1.7651 H 1 UNL1111111111 0.1383 38 H -1.0902 1.0317 -2.1536 H 1 UNL1111111111 0.1350 39 H 1.1351 0.0495 -2.6171 H 1 UNL1111111111 0.1470 40 H -0.0439 -1.2456 -2.4216 H 1 UNL1111111111 0.1683 41 H 2.4433 2.5909 0.9282 H 1 UNL1111111111 0.1370 42 H 2.1624 1.6952 2.4185 H 1 UNL1111111111 0.1361 43 H 4.8911 -0.4035 -1.3970 H 1 UNL1111111111 0.1382 44 H 5.1864 0.5521 0.0498 H 1 UNL1111111111 0.1436 45 H 2.7681 -1.6363 -2.2983 H 1 UNL1111111111 0.1691 46 H 1.8240 -2.9805 -1.6598 H 1 UNL1111111111 0.1720 47 H -0.3216 -0.7216 1.2828 H 1 UNL1111111111 0.1592 48 H 0.6258 -0.0728 2.6239 H 1 UNL1111111111 0.1395 49 H -0.7924 0.7970 2.0409 H 1 UNL1111111111 0.1525 50 H -0.6951 4.6448 1.0841 H 1 UNL1111111111 0.1562 51 H 0.7593 4.3466 0.1448 H 1 UNL1111111111 0.1375 52 H -0.1034 2.7728 2.6605 H 1 UNL1111111111 0.1399 53 H 1.1864 3.9701 2.5762 H 1 UNL1111111111 0.1296 54 H 4.8329 -2.5958 1.9538 H 1 UNL1111111111 0.1598 55 H 6.0028 -2.1131 0.7341 H 1 UNL1111111111 0.1585 56 H 5.5226 -0.9627 1.9970 H 1 UNL1111111111 0.1447 57 H -1.8796 2.9372 -2.0057 H 1 UNL1111111111 0.1157 58 H -0.2688 3.7555 -2.0341 H 1 UNL1111111111 0.1136 59 H -2.6641 1.7063 0.0267 H 1 UNL1111111111 0.1488 60 H -1.9103 2.0000 1.5992 H 1 UNL1111111111 0.1449 61 H -2.7143 3.3198 0.7436 H 1 UNL1111111111 0.1569 62 H -2.3193 5.0943 -1.7464 H 1 UNL1111111111 0.3087 63 H -4.0703 -2.8516 -1.6818 H 1 UNL1111111111 0.1714 64 H -2.6985 -0.3492 1.5510 H 1 UNL1111111111 0.1712 65 H -5.5607 -4.0699 -0.0982 H 1 UNL1111111111 0.1557 66 H -4.1926 -1.5664 3.1222 H 1 UNL1111111111 0.1551 67 H -5.6171 -3.4241 2.2976 H 1 UNL1111111111 0.1483 @BOND 1 1 13 1 2 1 25 1 3 2 19 2 4 3 23 1 5 3 62 1 6 4 25 2 7 5 6 1 8 5 7 1 9 5 9 1 10 5 11 1 11 6 8 1 12 6 15 1 13 6 18 1 14 7 14 1 15 7 17 1 16 7 32 1 17 8 12 1 18 8 13 1 19 8 33 1 20 9 10 1 21 9 34 1 22 9 35 1 23 10 16 1 24 10 19 1 25 10 22 1 26 11 16 1 27 11 36 1 28 11 37 1 29 12 20 1 30 12 23 1 31 12 24 1 32 13 14 1 33 13 38 1 34 14 39 1 35 14 40 1 36 15 21 1 37 15 41 1 38 15 42 1 39 16 43 1 40 16 44 1 41 17 19 1 42 17 45 1 43 17 46 1 44 18 47 1 45 18 48 1 46 18 49 1 47 20 21 1 48 20 50 1 49 20 51 1 50 21 52 1 51 21 53 1 52 22 54 1 53 22 55 1 54 22 56 1 55 23 57 1 56 23 58 1 57 24 59 1 58 24 60 1 59 24 61 1 60 25 26 1 61 26 27 ar 62 26 28 ar 63 27 29 ar 64 27 63 1 65 28 30 ar 66 28 64 1 67 29 31 ar 68 29 65 1 69 30 31 ar 70 30 66 1 71 31 67 1