@MOLECULE steviol 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0691 -0.0544 1.9138 O.3 1 UNL1111111111 -0.5582 2 O 2.8482 -1.5403 1.5816 O.3 1 UNL1111111111 -0.5685 3 O 3.8915 0.4106 1.6684 O.2 1 UNL1111111111 -0.5299 4 C -1.4863 -0.7909 -0.5676 C.3 1 UNL1111111111 0.0788 5 C -0.8379 0.5970 -0.8194 C.3 1 UNL1111111111 -0.1464 6 C 0.6127 0.7619 -0.2545 C.3 1 UNL1111111111 0.0790 7 C 1.4461 -0.4454 -0.7802 C.3 1 UNL1111111111 -0.1286 8 C -2.0122 -0.9171 0.8782 C.3 1 UNL1111111111 -0.3559 9 C -0.5508 -1.9351 -0.9555 C.3 1 UNL1111111111 -0.3005 10 C -3.2101 0.0546 0.8111 C.3 1 UNL1111111111 0.2950 11 C -1.7931 1.7472 -0.4066 C.3 1 UNL1111111111 -0.2732 12 C 0.8256 -1.7660 -0.3086 C.3 1 UNL1111111111 -0.2737 13 C -2.8147 -0.8739 -1.4029 C.3 1 UNL1111111111 -0.3266 14 C 2.9591 -0.3378 -0.4750 C.3 1 UNL1111111111 0.0006 15 C 1.2151 2.0501 -0.8802 C.3 1 UNL1111111111 -0.2999 16 C -2.6877 1.4954 0.8169 C.3 1 UNL1111111111 -0.2910 17 C -3.8719 -0.2922 -0.5111 C.2 1 UNL1111111111 -0.0183 18 C 0.6430 0.8898 1.2678 C.3 1 UNL1111111111 -0.4732 19 C 3.5004 0.9850 -1.0608 C.3 1 UNL1111111111 -0.2783 20 C 2.7077 2.2003 -0.5777 C.3 1 UNL1111111111 -0.2695 21 C 3.7347 -1.4989 -1.1231 C.3 1 UNL1111111111 -0.4592 22 C 3.2807 -0.3854 1.0021 C.2 1 UNL1111111111 0.6414 23 C -5.1568 -0.1216 -0.7996 C.2 1 UNL1111111111 -0.3656 24 H -0.7236 0.6752 -1.9339 H 1 UNL1111111111 0.1295 25 H 1.3692 -0.4211 -1.9014 H 1 UNL1111111111 0.1425 26 H -1.2802 -0.6341 1.6435 H 1 UNL1111111111 0.1640 27 H -2.3260 -1.9429 1.1162 H 1 UNL1111111111 0.1429 28 H -0.4467 -1.9831 -2.0564 H 1 UNL1111111111 0.1373 29 H -0.9896 -2.9057 -0.6551 H 1 UNL1111111111 0.1414 30 H -2.4508 1.9657 -1.2733 H 1 UNL1111111111 0.1368 31 H -1.2141 2.6746 -0.2374 H 1 UNL1111111111 0.1412 32 H 0.7380 -1.7931 0.7952 H 1 UNL1111111111 0.1605 33 H 1.4726 -2.6234 -0.5675 H 1 UNL1111111111 0.1411 34 H -3.0501 -1.9219 -1.6574 H 1 UNL1111111111 0.1524 35 H -2.7338 -0.3374 -2.3601 H 1 UNL1111111111 0.1519 36 H 0.6751 2.9375 -0.4991 H 1 UNL1111111111 0.1412 37 H 1.0588 2.0442 -1.9743 H 1 UNL1111111111 0.1331 38 H -2.1438 1.6818 1.7623 H 1 UNL1111111111 0.1544 39 H -3.5392 2.2026 0.8216 H 1 UNL1111111111 0.1528 40 H 1.5802 1.3323 1.6281 H 1 UNL1111111111 0.1574 41 H -0.1613 1.5383 1.6326 H 1 UNL1111111111 0.1562 42 H 0.5366 -0.0817 1.7644 H 1 UNL1111111111 0.1521 43 H 3.4701 0.9317 -2.1656 H 1 UNL1111111111 0.1417 44 H 4.5675 1.1079 -0.7878 H 1 UNL1111111111 0.1509 45 H 2.8724 2.3480 0.5100 H 1 UNL1111111111 0.1589 46 H 3.0983 3.1174 -1.0580 H 1 UNL1111111111 0.1347 47 H 3.4988 -1.5869 -2.1892 H 1 UNL1111111111 0.1536 48 H 4.8186 -1.3581 -1.0352 H 1 UNL1111111111 0.1528 49 H 3.4952 -2.4622 -0.6521 H 1 UNL1111111111 0.1657 50 H -4.5335 -0.9141 1.9138 H 1 UNL1111111111 0.3192 51 H -5.8634 0.3052 -0.1029 H 1 UNL1111111111 0.1584 52 H -5.6009 -0.3832 -1.7450 H 1 UNL1111111111 0.1475 53 H 3.0795 -1.6041 2.5401 H 1 UNL1111111111 0.3496 @BOND 1 1 10 1 2 1 50 1 3 2 22 1 4 2 53 1 5 3 22 2 6 4 5 1 7 4 8 1 8 4 9 1 9 4 13 1 10 5 6 1 11 5 11 1 12 5 24 1 13 6 7 1 14 6 15 1 15 6 18 1 16 7 12 1 17 7 14 1 18 7 25 1 19 8 10 1 20 8 26 1 21 8 27 1 22 9 12 1 23 9 28 1 24 9 29 1 25 10 16 1 26 10 17 1 27 11 16 1 28 11 30 1 29 11 31 1 30 12 32 1 31 12 33 1 32 13 17 1 33 13 34 1 34 13 35 1 35 14 19 1 36 14 21 1 37 14 22 1 38 15 20 1 39 15 36 1 40 15 37 1 41 16 38 1 42 16 39 1 43 17 23 2 44 18 40 1 45 18 41 1 46 18 42 1 47 19 20 1 48 19 43 1 49 19 44 1 50 20 45 1 51 20 46 1 52 21 47 1 53 21 48 1 54 21 49 1 55 23 51 1 56 23 52 1