@MOLECULE panaxytriol 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9535 1.6885 -1.4378 O.3 1 UNL1111111111 -0.5907 2 O 5.2859 -0.4212 -0.4664 O.3 1 UNL1111111111 -0.5678 3 O -2.4686 -3.7020 -0.9268 O.3 1 UNL1111111111 -0.5252 4 C 0.7698 1.4446 -0.5288 C.3 1 UNL1111111111 -0.2682 5 C 2.1356 1.5901 0.1510 C.3 1 UNL1111111111 -0.3379 6 C -0.3304 2.0970 0.3172 C.3 1 UNL1111111111 -0.2687 7 C 3.2132 0.8053 -0.6015 C.3 1 UNL1111111111 0.1006 8 C -1.7002 1.9114 -0.3479 C.3 1 UNL1111111111 -0.2766 9 C 4.3093 0.2297 0.3269 C.3 1 UNL1111111111 0.1478 10 C -2.8193 2.4178 0.5702 C.3 1 UNL1111111111 -0.2730 11 C -4.1853 2.2947 -0.1176 C.3 1 UNL1111111111 -0.2521 12 C 3.8253 -0.8744 1.2952 C.3 1 UNL1111111111 -0.2883 13 C -5.3101 2.7319 0.8202 C.3 1 UNL1111111111 -0.4409 14 C 2.4853 -1.3123 1.0694 C.1 1 UNL1111111111 0.0004 15 C 1.3398 -1.6795 0.8861 C.1 1 UNL1111111111 -0.1085 16 C 0.0582 -2.0601 0.6587 C.1 1 UNL1111111111 -0.0106 17 C -1.0934 -2.3802 0.4404 C.1 1 UNL1111111111 -0.1317 18 C -2.4488 -2.7797 0.1480 C.3 1 UNL1111111111 0.1799 19 C -3.3121 -1.5761 -0.1349 C.2 1 UNL1111111111 -0.1910 20 C -4.1687 -1.5343 -1.1523 C.2 1 UNL1111111111 -0.2848 21 H 0.5327 0.3699 -0.6732 H 1 UNL1111111111 0.1477 22 H 0.7898 1.8925 -1.5384 H 1 UNL1111111111 0.1331 23 H 2.0660 1.2467 1.2020 H 1 UNL1111111111 0.1575 24 H 2.4273 2.6570 0.2145 H 1 UNL1111111111 0.1583 25 H -0.3404 1.6514 1.3303 H 1 UNL1111111111 0.1396 26 H -0.1193 3.1725 0.4595 H 1 UNL1111111111 0.1358 27 H 2.7919 0.0037 -1.2485 H 1 UNL1111111111 0.1402 28 H -1.7284 2.4472 -1.3145 H 1 UNL1111111111 0.1368 29 H -1.8643 0.8435 -0.5895 H 1 UNL1111111111 0.1405 30 H 4.8232 1.0503 0.8760 H 1 UNL1111111111 0.1324 31 H -2.8195 1.8471 1.5175 H 1 UNL1111111111 0.1366 32 H -2.6332 3.4703 0.8520 H 1 UNL1111111111 0.1367 33 H -4.3516 1.2508 -0.4452 H 1 UNL1111111111 0.1337 34 H -4.2007 2.9069 -1.0388 H 1 UNL1111111111 0.1338 35 H 3.9560 -0.5321 2.3488 H 1 UNL1111111111 0.1716 36 H 4.5371 -1.7429 1.1887 H 1 UNL1111111111 0.2070 37 H 3.3627 2.1543 -2.0572 H 1 UNL1111111111 0.3291 38 H -5.3407 2.1143 1.7248 H 1 UNL1111111111 0.1427 39 H -6.2880 2.6505 0.3330 H 1 UNL1111111111 0.1405 40 H -5.1863 3.7735 1.1362 H 1 UNL1111111111 0.1428 41 H 5.5094 0.1338 -1.2470 H 1 UNL1111111111 0.3405 42 H -2.8946 -3.3966 0.9803 H 1 UNL1111111111 0.1747 43 H -3.1884 -0.7541 0.5697 H 1 UNL1111111111 0.1580 44 H -2.0268 -3.3235 -1.7166 H 1 UNL1111111111 0.3161 45 H -4.8057 -0.6889 -1.3646 H 1 UNL1111111111 0.1432 46 H -4.3105 -2.3506 -1.8490 H 1 UNL1111111111 0.1584 @BOND 1 1 7 1 2 1 37 1 3 2 9 1 4 2 41 1 5 3 18 1 6 3 44 1 7 4 5 1 8 4 6 1 9 4 21 1 10 4 22 1 11 5 7 1 12 5 23 1 13 5 24 1 14 6 8 1 15 6 25 1 16 6 26 1 17 7 9 1 18 7 27 1 19 8 10 1 20 8 28 1 21 8 29 1 22 9 12 1 23 9 30 1 24 10 11 1 25 10 31 1 26 10 32 1 27 11 13 1 28 11 33 1 29 11 34 1 30 12 14 1 31 12 35 1 32 12 36 1 33 13 38 1 34 13 39 1 35 13 40 1 36 14 15 3 37 15 16 1 38 16 17 3 39 17 18 1 40 18 19 1 41 18 42 1 42 19 20 2 43 19 43 1 44 20 45 1 45 20 46 1