@MOLECULE ethyl (3e)-2,5-diamino-2-(fluoromethyl)-3-pentenoate 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 F -0.1446 1.0000 -1.9878 F 1 UNL1111111111 -0.1985 2 O -0.8487 -0.9245 -0.4834 O.3 1 UNL1111111111 -0.4018 3 O -2.4522 0.0162 0.7889 O.2 1 UNL1111111111 -0.5255 4 N -1.0138 2.2790 1.2634 N.3 1 UNL1111111111 -0.6302 5 N 3.9839 -0.7836 -0.2773 N.3 1 UNL1111111111 -0.6247 6 C -0.4302 1.2762 0.3477 C.3 1 UNL1111111111 0.1019 7 C -0.3750 1.9537 -1.0527 C.3 1 UNL1111111111 -0.0621 8 C 0.9491 0.9066 0.8109 C.2 1 UNL1111111111 -0.2149 9 C -1.3691 0.0563 0.2622 C.2 1 UNL1111111111 0.5517 10 C 1.6656 -0.1090 0.3266 C.2 1 UNL1111111111 -0.1625 11 C 3.0529 -0.4216 0.8104 C.3 1 UNL1111111111 -0.1180 12 C -1.6080 -2.1306 -0.6443 C.3 1 UNL1111111111 0.0008 13 C -1.2160 -3.1029 0.4551 C.3 1 UNL1111111111 -0.4769 14 H 0.4475 2.7066 -1.0794 H 1 UNL1111111111 0.1581 15 H -1.3332 2.4728 -1.2867 H 1 UNL1111111111 0.1497 16 H 1.3548 1.5787 1.5717 H 1 UNL1111111111 0.1694 17 H -0.8605 2.0403 2.2332 H 1 UNL1111111111 0.2641 18 H -2.0118 2.3849 1.1197 H 1 UNL1111111111 0.2718 19 H 1.2942 -0.7809 -0.4505 H 1 UNL1111111111 0.1723 20 H 3.5042 0.4284 1.3729 H 1 UNL1111111111 0.1533 21 H 3.0131 -1.2740 1.5324 H 1 UNL1111111111 0.1574 22 H -2.6898 -1.9107 -0.6466 H 1 UNL1111111111 0.1462 23 H -1.2804 -2.4607 -1.6482 H 1 UNL1111111111 0.1436 24 H -1.5851 -4.1128 0.2387 H 1 UNL1111111111 0.1588 25 H -0.1267 -3.1628 0.5710 H 1 UNL1111111111 0.1575 26 H -1.6305 -2.7960 1.4250 H 1 UNL1111111111 0.1627 27 H 4.1159 -0.0187 -0.9201 H 1 UNL1111111111 0.2488 28 H 3.6606 -1.5836 -0.7971 H 1 UNL1111111111 0.2468 @BOND 1 1 7 1 2 2 9 1 3 2 12 1 4 3 9 2 5 4 6 1 6 4 17 1 7 4 18 1 8 5 11 1 9 5 27 1 10 5 28 1 11 6 7 1 12 6 8 1 13 6 9 1 14 7 14 1 15 7 15 1 16 8 10 2 17 8 16 1 18 10 11 1 19 10 19 1 20 11 20 1 21 11 21 1 22 12 13 1 23 12 22 1 24 12 23 1 25 13 24 1 26 13 25 1 27 13 26 1