@MOLECULE n~5~-(diaminomethylene)-2-(difluoromethyl)ornithine 29 28 0 0 0 SMALL GASTEIGER @ATOM 1 F 1.8951 1.4200 1.4578 F 1 UNL1111111111 -0.2005 2 F 3.5448 0.8048 0.3405 F 1 UNL1111111111 -0.2171 3 O 1.0467 1.3904 -1.0041 O.3 1 UNL1111111111 -0.5075 4 O 1.6092 -0.3759 -2.2605 O.2 1 UNL1111111111 -0.5158 5 N 2.3467 -1.8541 0.0312 N.3 1 UNL1111111111 -0.6365 6 N -2.4975 -0.1563 -0.1533 N.pl3 1 UNL1111111111 -0.5780 7 N -3.7833 1.7626 -0.4216 N.pl3 1 UNL1111111111 -0.6225 8 N -4.8450 -0.1471 0.5057 N.pl3 1 UNL1111111111 -0.6753 9 C 1.6226 -0.5838 0.1720 C.3 1 UNL1111111111 0.0686 10 C 0.2461 -0.7802 0.8309 C.3 1 UNL1111111111 -0.2863 11 C -0.6708 -1.7190 0.0357 C.3 1 UNL1111111111 -0.2650 12 C 2.5386 0.3049 1.0804 C.3 1 UNL1111111111 0.2706 13 C -2.1559 -1.4612 0.3829 C.3 1 UNL1111111111 -0.0735 14 C 1.4314 0.1122 -1.1769 C.2 1 UNL1111111111 0.5937 15 C -3.6520 0.4090 -0.0049 C.cat 1 UNL1111111111 0.5164 16 H -0.2602 0.2114 0.9233 H 1 UNL1111111111 0.1959 17 H 0.3748 -1.1587 1.8630 H 1 UNL1111111111 0.1550 18 H -0.5359 -1.5648 -1.0554 H 1 UNL1111111111 0.1653 19 H -0.4287 -2.7763 0.2414 H 1 UNL1111111111 0.1329 20 H 2.9362 -0.2633 1.9722 H 1 UNL1111111111 0.1649 21 H -2.3024 -1.5140 1.4841 H 1 UNL1111111111 0.1212 22 H -2.7827 -2.2623 -0.0720 H 1 UNL1111111111 0.1307 23 H 3.0845 -1.8051 -0.6608 H 1 UNL1111111111 0.2742 24 H 1.7343 -2.6204 -0.2085 H 1 UNL1111111111 0.2685 25 H 0.9018 1.8776 -1.8562 H 1 UNL1111111111 0.3522 26 H -2.9181 2.1438 -0.7928 H 1 UNL1111111111 0.3005 27 H -4.5641 1.9509 -1.0295 H 1 UNL1111111111 0.2823 28 H -5.5590 0.4884 0.8154 H 1 UNL1111111111 0.2961 29 H -4.7527 -0.9503 1.0979 H 1 UNL1111111111 0.2892 @BOND 1 1 12 1 2 2 12 1 3 3 14 1 4 3 25 1 5 4 14 2 6 5 9 1 7 5 23 1 8 5 24 1 9 6 13 1 10 6 15 2 11 7 15 1 12 7 26 1 13 7 27 1 14 8 15 1 15 8 28 1 16 8 29 1 17 9 10 1 18 9 12 1 19 9 14 1 20 10 11 1 21 10 16 1 22 10 17 1 23 11 13 1 24 11 18 1 25 11 19 1 26 12 20 1 27 13 21 1 28 13 22 1