@MOLECULE k-strophanthidin 61 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7958 -1.4318 0.4160 O.3 1 UNL1111111111 -0.5727 2 O 4.6069 -1.4243 -0.0461 O.3 1 UNL1111111111 -0.6085 3 O 5.8414 0.6730 1.1022 O.3 1 UNL1111111111 -0.5744 4 O 3.4786 -1.5229 -2.4486 O.2 1 UNL1111111111 -0.4613 5 O -6.2274 0.2128 -0.5936 O.3 1 UNL1111111111 -0.3962 6 O -6.5465 -1.7752 0.3792 O.2 1 UNL1111111111 -0.4204 7 C -0.9872 -0.2695 0.3790 C.3 1 UNL1111111111 0.2883 8 C 0.4210 -0.7145 -0.0757 C.3 1 UNL1111111111 -0.1876 9 C -1.6387 0.8164 -0.5307 C.3 1 UNL1111111111 0.0257 10 C 1.3526 0.4903 -0.3043 C.3 1 UNL1111111111 -0.1186 11 C 2.7562 0.0152 -0.7508 C.3 1 UNL1111111111 -0.1531 12 C 3.3452 -0.9222 0.3525 C.3 1 UNL1111111111 0.3412 13 C -2.7910 1.3889 0.3587 C.3 1 UNL1111111111 -0.1462 14 C -0.6338 1.9600 -0.7821 C.3 1 UNL1111111111 -0.2926 15 C 0.7087 1.4542 -1.3133 C.3 1 UNL1111111111 -0.2876 16 C -1.0999 0.2815 1.8144 C.3 1 UNL1111111111 -0.3010 17 C 1.0087 -1.6849 0.9607 C.3 1 UNL1111111111 -0.2703 18 C 2.4154 -2.1303 0.5722 C.3 1 UNL1111111111 -0.3459 19 C -2.2604 1.2908 1.8122 C.3 1 UNL1111111111 -0.2642 20 C 3.7355 1.1850 -0.9673 C.3 1 UNL1111111111 -0.2631 21 C -2.1349 0.2526 -1.8568 C.3 1 UNL1111111111 -0.4654 22 C 3.6448 -0.1722 1.6617 C.3 1 UNL1111111111 -0.3780 23 C 3.9801 1.9731 0.3197 C.3 1 UNL1111111111 -0.3252 24 C 4.5307 1.0626 1.4322 C.3 1 UNL1111111111 0.1815 25 C 2.6658 -0.7036 -2.0875 C.2 1 UNL1111111111 0.3483 26 C -4.0573 0.6374 0.1959 C.2 1 UNL1111111111 0.0361 27 C -5.1885 1.1988 -0.6416 C.3 1 UNL1111111111 -0.0808 28 C -4.4430 -0.5503 0.6910 C.2 1 UNL1111111111 -0.3062 29 C -5.8084 -0.8507 0.2115 C.2 1 UNL1111111111 0.5797 30 H 0.3029 -1.2639 -1.0421 H 1 UNL1111111111 0.1411 31 H 1.4708 1.0361 0.6658 H 1 UNL1111111111 0.1545 32 H -2.9626 2.4598 0.0973 H 1 UNL1111111111 0.1446 33 H -0.4648 2.5246 0.1564 H 1 UNL1111111111 0.1454 34 H -1.0677 2.6872 -1.4940 H 1 UNL1111111111 0.1416 35 H 0.5652 0.9709 -2.2973 H 1 UNL1111111111 0.1389 36 H 1.3779 2.3186 -1.4944 H 1 UNL1111111111 0.1471 37 H -0.1590 0.7532 2.1355 H 1 UNL1111111111 0.1413 38 H -1.2965 -0.5500 2.5186 H 1 UNL1111111111 0.1679 39 H 0.3399 -2.5653 1.0601 H 1 UNL1111111111 0.1619 40 H 1.0227 -1.2216 1.9652 H 1 UNL1111111111 0.1421 41 H 2.8462 -2.7870 1.3535 H 1 UNL1111111111 0.1638 42 H 2.3930 -2.7550 -0.3416 H 1 UNL1111111111 0.1569 43 H -3.0590 0.9763 2.5070 H 1 UNL1111111111 0.1545 44 H -1.9241 2.2783 2.1674 H 1 UNL1111111111 0.1339 45 H 3.3740 1.8609 -1.7637 H 1 UNL1111111111 0.1354 46 H 4.7084 0.7829 -1.3312 H 1 UNL1111111111 0.1664 47 H -1.3154 -0.1782 -2.4439 H 1 UNL1111111111 0.1502 48 H -2.8894 -0.5336 -1.7176 H 1 UNL1111111111 0.1599 49 H -2.5968 1.0320 -2.4750 H 1 UNL1111111111 0.1514 50 H 4.1780 -0.8638 2.3501 H 1 UNL1111111111 0.1765 51 H 2.7098 0.1117 2.1710 H 1 UNL1111111111 0.1514 52 H 4.7211 2.7758 0.1255 H 1 UNL1111111111 0.1583 53 H 3.0608 2.4786 0.6596 H 1 UNL1111111111 0.1372 54 H 4.6720 1.6365 2.3772 H 1 UNL1111111111 0.1283 55 H -1.8680 -1.8590 -0.4573 H 1 UNL1111111111 0.3190 56 H 1.8379 -0.4371 -2.7577 H 1 UNL1111111111 0.1167 57 H 4.5770 -1.7450 -0.9791 H 1 UNL1111111111 0.3581 58 H -5.6215 2.1272 -0.2328 H 1 UNL1111111111 0.1578 59 H -4.9318 1.3309 -1.7055 H 1 UNL1111111111 0.1559 60 H -3.8999 -1.2372 1.3201 H 1 UNL1111111111 0.2094 61 H 5.8045 -0.1170 0.5099 H 1 UNL1111111111 0.3510 @BOND 1 1 7 1 2 1 55 1 3 2 12 1 4 2 57 1 5 3 24 1 6 3 61 1 7 4 25 2 8 5 27 1 9 5 29 1 10 6 29 2 11 7 8 1 12 7 9 1 13 7 16 1 14 8 10 1 15 8 17 1 16 8 30 1 17 9 13 1 18 9 14 1 19 9 21 1 20 10 11 1 21 10 15 1 22 10 31 1 23 11 12 1 24 11 20 1 25 11 25 1 26 12 18 1 27 12 22 1 28 13 19 1 29 13 26 1 30 13 32 1 31 14 15 1 32 14 33 1 33 14 34 1 34 15 35 1 35 15 36 1 36 16 19 1 37 16 37 1 38 16 38 1 39 17 18 1 40 17 39 1 41 17 40 1 42 18 41 1 43 18 42 1 44 19 43 1 45 19 44 1 46 20 23 1 47 20 45 1 48 20 46 1 49 21 47 1 50 21 48 1 51 21 49 1 52 22 24 1 53 22 50 1 54 22 51 1 55 23 24 1 56 23 52 1 57 23 53 1 58 24 54 1 59 25 56 1 60 26 27 1 61 26 28 2 62 27 58 1 63 27 59 1 64 28 29 1 65 28 60 1