@MOLECULE ()-vincadifformine 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4643 -1.6805 -0.6521 O.3 1 UNL1111111111 -0.3854 2 O -1.7812 -3.1147 -0.2719 O.2 1 UNL1111111111 -0.5795 3 N 0.1026 2.5126 -0.9763 N.3 1 UNL1111111111 -0.4592 4 N 0.7905 -2.0468 -0.5093 N.pl3 1 UNL1111111111 -0.4784 5 C 0.3822 1.5656 0.1356 C.3 1 UNL1111111111 0.0244 6 C 0.9739 0.3247 -0.5854 C.3 1 UNL1111111111 0.0042 7 C -0.9706 1.3151 0.8636 C.3 1 UNL1111111111 0.0641 8 C 1.2485 0.7873 -2.0470 C.3 1 UNL1111111111 -0.2658 9 C -1.5673 2.6800 1.2880 C.3 1 UNL1111111111 -0.2810 10 C -1.9058 0.5632 -0.1196 C.3 1 UNL1111111111 -0.2394 11 C 1.1515 2.3282 -1.9924 C.3 1 UNL1111111111 -0.1004 12 C 0.0206 -0.8746 -0.5518 C.2 1 UNL1111111111 0.2513 13 C -0.1955 3.8627 -0.4939 C.3 1 UNL1111111111 -0.0932 14 C 2.2303 -0.2876 -0.0299 C.ar 1 UNL1111111111 -0.1340 15 C -0.6840 0.4982 2.1466 C.3 1 UNL1111111111 -0.2846 16 C -1.5828 3.7391 0.1779 C.3 1 UNL1111111111 -0.2724 17 C -1.3239 -0.7784 -0.4281 C.2 1 UNL1111111111 -0.2883 18 C 2.0847 -1.7058 -0.0569 C.ar 1 UNL1111111111 0.2024 19 C -1.9488 0.0481 2.8748 C.3 1 UNL1111111111 -0.4262 20 C 3.4097 0.2807 0.3940 C.ar 1 UNL1111111111 -0.0976 21 C -2.1568 -1.9696 -0.4307 C.2 1 UNL1111111111 0.6360 22 C 3.1133 -2.5501 0.3259 C.ar 1 UNL1111111111 -0.2408 23 C 4.4535 -0.5685 0.7928 C.ar 1 UNL1111111111 -0.2037 24 C 4.3064 -1.9515 0.7512 C.ar 1 UNL1111111111 -0.0877 25 C -4.3453 -2.8022 -0.6721 C.3 1 UNL1111111111 -0.1742 26 H 1.1321 1.9634 0.8616 H 1 UNL1111111111 0.1217 27 H 0.4850 0.3763 -2.7324 H 1 UNL1111111111 0.1643 28 H 2.2261 0.4426 -2.4125 H 1 UNL1111111111 0.1502 29 H -0.9935 3.0710 2.1502 H 1 UNL1111111111 0.1349 30 H -2.5986 2.5231 1.6568 H 1 UNL1111111111 0.1418 31 H -2.0140 1.1685 -1.0484 H 1 UNL1111111111 0.1776 32 H -2.9237 0.4778 0.3024 H 1 UNL1111111111 0.1546 33 H 2.1248 2.7901 -1.7410 H 1 UNL1111111111 0.1105 34 H 0.8058 2.7615 -2.9506 H 1 UNL1111111111 0.1419 35 H -0.2435 4.5607 -1.3543 H 1 UNL1111111111 0.1310 36 H 0.5541 4.2666 0.2165 H 1 UNL1111111111 0.1099 37 H -0.0524 1.0967 2.8309 H 1 UNL1111111111 0.1339 38 H -0.0744 -0.3925 1.8975 H 1 UNL1111111111 0.1455 39 H -2.3296 3.4606 -0.5922 H 1 UNL1111111111 0.1530 40 H -1.8960 4.7153 0.5834 H 1 UNL1111111111 0.1267 41 H 0.3533 -2.9459 -0.3518 H 1 UNL1111111111 0.3486 42 H -2.5794 0.8952 3.1613 H 1 UNL1111111111 0.1377 43 H -2.5530 -0.6199 2.2483 H 1 UNL1111111111 0.1497 44 H -1.6977 -0.5034 3.7882 H 1 UNL1111111111 0.1404 45 H 3.5375 1.3599 0.4191 H 1 UNL1111111111 0.1512 46 H 3.0082 -3.6295 0.3012 H 1 UNL1111111111 0.1670 47 H 5.3890 -0.1333 1.1354 H 1 UNL1111111111 0.1503 48 H 5.1350 -2.5889 1.0587 H 1 UNL1111111111 0.1460 49 H -4.0449 -3.5205 -1.4418 H 1 UNL1111111111 0.1414 50 H -5.3157 -2.3507 -0.9033 H 1 UNL1111111111 0.1414 51 H -4.3480 -3.2816 0.3125 H 1 UNL1111111111 0.1381 @BOND 1 1 21 1 2 1 25 1 3 2 21 2 4 3 5 1 5 3 11 1 6 3 13 1 7 4 12 1 8 4 18 1 9 4 41 1 10 5 6 1 11 5 7 1 12 5 26 1 13 6 8 1 14 6 12 1 15 6 14 1 16 7 9 1 17 7 10 1 18 7 15 1 19 8 11 1 20 8 27 1 21 8 28 1 22 9 16 1 23 9 29 1 24 9 30 1 25 10 17 1 26 10 31 1 27 10 32 1 28 11 33 1 29 11 34 1 30 12 17 2 31 13 16 1 32 13 35 1 33 13 36 1 34 14 18 ar 35 14 20 ar 36 15 19 1 37 15 37 1 38 15 38 1 39 16 39 1 40 16 40 1 41 17 21 1 42 18 22 ar 43 19 42 1 44 19 43 1 45 19 44 1 46 20 23 ar 47 20 45 1 48 22 24 ar 49 22 46 1 50 23 24 ar 51 23 47 1 52 24 48 1 53 25 49 1 54 25 50 1 55 25 51 1