@MOLECULE vindorosine 61 65 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1674 0.7066 -0.8980 O.3 1 UNL1111111111 -0.3664 2 O 0.3091 2.3941 -1.4661 O.3 1 UNL1111111111 -0.5098 3 O -0.4876 2.6439 1.3168 O.3 1 UNL1111111111 -0.3834 4 O -2.2936 1.9647 0.1847 O.2 1 UNL1111111111 -0.4944 5 O 3.8767 1.7283 0.1649 O.2 1 UNL1111111111 -0.5359 6 N 1.7462 -1.9996 -0.4774 N.3 1 UNL1111111111 -0.4213 7 N -1.9267 0.1415 -1.9013 N.pl3 1 UNL1111111111 -0.4214 8 C -0.5059 -1.2445 -0.6123 C.3 1 UNL1111111111 0.0321 9 C 0.6567 -1.4402 0.3729 C.3 1 UNL1111111111 0.0165 10 C 1.1803 -0.1929 1.1114 C.3 1 UNL1111111111 -0.0052 11 C -0.5143 0.1028 -1.4284 C.3 1 UNL1111111111 0.0118 12 C -0.0459 1.3313 -0.6013 C.3 1 UNL1111111111 0.1401 13 C -0.3381 -2.4526 -1.5869 C.3 1 UNL1111111111 -0.2911 14 C 1.2694 1.0267 0.1617 C.3 1 UNL1111111111 0.0878 15 C -1.9033 -1.2643 -0.0591 C.ar 1 UNL1111111111 -0.1592 16 C 1.1093 -2.9554 -1.4136 C.3 1 UNL1111111111 -0.1154 17 C 0.2498 0.1192 2.3070 C.3 1 UNL1111111111 -0.2789 18 C 2.5696 -0.4499 1.6404 C.2 1 UNL1111111111 -0.1275 19 C -2.7142 -0.4200 -0.8705 C.ar 1 UNL1111111111 0.2295 20 C 2.8261 -2.5695 0.3503 C.3 1 UNL1111111111 -0.1112 21 C 3.2988 -1.5219 1.3189 C.2 1 UNL1111111111 -0.1900 22 C -1.0990 1.9652 0.3189 C.2 1 UNL1111111111 0.5471 23 C -2.4565 -1.9745 0.9813 C.ar 1 UNL1111111111 -0.0982 24 C -2.4137 1.3049 -2.6361 C.3 1 UNL1111111111 -0.2502 25 C 0.3535 -0.9044 3.4382 C.3 1 UNL1111111111 -0.4269 26 C -4.0807 -0.3120 -0.6473 C.ar 1 UNL1111111111 -0.2426 27 C -3.8321 -1.8490 1.2243 C.ar 1 UNL1111111111 -0.2191 28 C -4.6244 -1.0390 0.4167 C.ar 1 UNL1111111111 -0.0841 29 C 3.4554 1.1057 -0.7768 C.2 1 UNL1111111111 0.6414 30 C 4.2163 0.6422 -1.9743 C.3 1 UNL1111111111 -0.5044 31 C -1.3494 3.3304 2.2212 C.3 1 UNL1111111111 -0.1739 32 H 0.3299 -2.1885 1.1473 H 1 UNL1111111111 0.1340 33 H 0.1696 0.0230 -2.3127 H 1 UNL1111111111 0.1859 34 H -0.5516 -2.1561 -2.6258 H 1 UNL1111111111 0.1594 35 H -1.0665 -3.2442 -1.3449 H 1 UNL1111111111 0.1500 36 H 1.6280 1.9383 0.7022 H 1 UNL1111111111 0.1835 37 H 1.1287 -4.0043 -1.0626 H 1 UNL1111111111 0.1128 38 H 1.6762 -2.9125 -2.3661 H 1 UNL1111111111 0.1417 39 H -0.8024 0.1615 1.9586 H 1 UNL1111111111 0.1495 40 H 0.4910 1.1249 2.7086 H 1 UNL1111111111 0.1603 41 H 2.9494 0.3255 2.3070 H 1 UNL1111111111 0.1604 42 H 3.6540 -2.8598 -0.3372 H 1 UNL1111111111 0.1422 43 H 2.5277 -3.4898 0.9025 H 1 UNL1111111111 0.1189 44 H 4.2905 -1.6916 1.7275 H 1 UNL1111111111 0.1432 45 H -1.8470 -2.6203 1.6083 H 1 UNL1111111111 0.1471 46 H -0.3061 2.4466 -2.2292 H 1 UNL1111111111 0.3173 47 H -1.6960 1.5682 -3.4317 H 1 UNL1111111111 0.1402 48 H -2.6211 2.1892 -2.0078 H 1 UNL1111111111 0.1513 49 H -3.3626 1.0294 -3.1370 H 1 UNL1111111111 0.1568 50 H 0.0608 -1.9083 3.1130 H 1 UNL1111111111 0.1376 51 H 1.3744 -0.9738 3.8315 H 1 UNL1111111111 0.1475 52 H -0.3034 -0.6282 4.2712 H 1 UNL1111111111 0.1430 53 H -4.7039 0.3312 -1.2564 H 1 UNL1111111111 0.1589 54 H -4.2787 -2.3922 2.0514 H 1 UNL1111111111 0.1490 55 H -5.6918 -0.9578 0.6189 H 1 UNL1111111111 0.1426 56 H 3.5514 0.2998 -2.7827 H 1 UNL1111111111 0.1843 57 H 4.8617 -0.2075 -1.7031 H 1 UNL1111111111 0.1801 58 H 4.8570 1.4454 -2.3638 H 1 UNL1111111111 0.1767 59 H -1.9416 4.0792 1.6856 H 1 UNL1111111111 0.1404 60 H -0.6456 3.8013 2.9173 H 1 UNL1111111111 0.1491 61 H -2.0067 2.6175 2.7304 H 1 UNL1111111111 0.1403 @BOND 1 1 14 1 2 1 29 1 3 2 12 1 4 2 46 1 5 3 22 1 6 3 31 1 7 4 22 2 8 5 29 2 9 6 9 1 10 6 16 1 11 6 20 1 12 7 11 1 13 7 19 1 14 7 24 1 15 8 9 1 16 8 11 1 17 8 13 1 18 8 15 1 19 9 10 1 20 9 32 1 21 10 14 1 22 10 17 1 23 10 18 1 24 11 12 1 25 11 33 1 26 12 14 1 27 12 22 1 28 13 16 1 29 13 34 1 30 13 35 1 31 14 36 1 32 15 19 ar 33 15 23 ar 34 16 37 1 35 16 38 1 36 17 25 1 37 17 39 1 38 17 40 1 39 18 21 2 40 18 41 1 41 19 26 ar 42 20 21 1 43 20 42 1 44 20 43 1 45 21 44 1 46 23 27 ar 47 23 45 1 48 24 47 1 49 24 48 1 50 24 49 1 51 25 50 1 52 25 51 1 53 25 52 1 54 26 28 ar 55 26 53 1 56 27 28 ar 57 27 54 1 58 28 55 1 59 29 30 1 60 30 56 1 61 30 57 1 62 30 58 1 63 31 59 1 64 31 60 1 65 31 61 1