@MOLECULE 3-(4-ethoxy-phenylamino)-propionitrile 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6355 0.1105 0.2494 O.3 1 UNL1111111111 -0.3443 2 N 1.8067 0.9759 -0.2623 N.pl3 1 UNL1111111111 -0.5291 3 N 5.9414 -1.4651 -0.0187 N.1 1 UNL1111111111 -0.2462 4 C 0.4539 0.7008 0.0359 C.ar 1 UNL1111111111 0.1605 5 C 2.7830 -0.0980 -0.0106 C.3 1 UNL1111111111 -0.0753 6 C -2.2780 0.2285 0.2253 C.ar 1 UNL1111111111 0.1829 7 C -0.0186 -0.5939 0.2756 C.ar 1 UNL1111111111 -0.2082 8 C -0.4593 1.7775 -0.0101 C.ar 1 UNL1111111111 -0.2015 9 C -1.3880 -0.8312 0.3721 C.ar 1 UNL1111111111 -0.2275 10 C -1.8202 1.5472 0.0739 C.ar 1 UNL1111111111 -0.1753 11 C 4.2126 0.4717 -0.1471 C.3 1 UNL1111111111 -0.2858 12 C -4.1545 -1.1782 -0.1053 C.3 1 UNL1111111111 -0.0216 13 C -5.5907 -0.8884 -0.5186 C.3 1 UNL1111111111 -0.4592 14 C 5.1709 -0.6043 -0.0766 C.1 1 UNL1111111111 0.1101 15 H 2.6160 -0.8940 -0.7786 H 1 UNL1111111111 0.1621 16 H 2.6507 -0.5661 0.9906 H 1 UNL1111111111 0.1371 17 H 2.1213 1.8959 0.0285 H 1 UNL1111111111 0.2829 18 H 0.6644 -1.4325 0.3832 H 1 UNL1111111111 0.1565 19 H -0.0930 2.7940 -0.1333 H 1 UNL1111111111 0.1573 20 H -1.7417 -1.8395 0.5650 H 1 UNL1111111111 0.1598 21 H -2.5423 2.3624 0.0180 H 1 UNL1111111111 0.1713 22 H 4.3078 1.0257 -1.1138 H 1 UNL1111111111 0.1936 23 H 4.4125 1.2259 0.6513 H 1 UNL1111111111 0.1775 24 H -3.5696 -1.6174 -0.9319 H 1 UNL1111111111 0.1263 25 H -4.0922 -1.8247 0.7869 H 1 UNL1111111111 0.1236 26 H -6.1065 -1.8021 -0.8348 H 1 UNL1111111111 0.1515 27 H -6.1585 -0.4412 0.3051 H 1 UNL1111111111 0.1599 28 H -5.6222 -0.1774 -1.3545 H 1 UNL1111111111 0.1611 @BOND 1 1 6 1 2 1 12 1 3 2 4 1 4 2 5 1 5 2 17 1 6 3 14 3 7 4 7 ar 8 4 8 ar 9 5 11 1 10 5 15 1 11 5 16 1 12 6 9 ar 13 6 10 ar 14 7 9 ar 15 7 18 1 16 8 10 ar 17 8 19 1 18 9 20 1 19 10 21 1 20 11 14 1 21 11 22 1 22 11 23 1 23 12 13 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 13 28 1