@MOLECULE 1-(4-aminophenyl)-1-hexanone 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7928 -0.7068 1.7518 O.2 1 UNL1111111111 -0.4686 2 N 4.8496 0.9701 -0.5740 N.pl3 1 UNL1111111111 -0.6346 3 C -2.7026 -1.2068 -0.2067 C.3 1 UNL1111111111 -0.2511 4 C -3.0662 0.2586 -0.4790 C.3 1 UNL1111111111 -0.2707 5 C -1.2126 -1.4608 -0.4602 C.3 1 UNL1111111111 -0.3793 6 C -4.5563 0.5064 -0.2114 C.3 1 UNL1111111111 -0.2517 7 C -0.3646 -0.8423 0.6287 C.2 1 UNL1111111111 0.4899 8 C 1.0032 -0.4034 0.2863 C.ar 1 UNL1111111111 -0.2739 9 C -4.9218 1.9659 -0.4836 C.3 1 UNL1111111111 -0.4397 10 C 1.7068 -0.9219 -0.8037 C.ar 1 UNL1111111111 -0.0119 11 C 1.6096 0.5573 1.1066 C.ar 1 UNL1111111111 0.0169 12 C 2.9908 -0.4864 -1.0895 C.ar 1 UNL1111111111 -0.3327 13 C 2.8875 1.0186 0.8367 C.ar 1 UNL1111111111 -0.3353 14 C 3.5883 0.4983 -0.2723 C.ar 1 UNL1111111111 0.3164 15 H -2.9520 -1.4665 0.8437 H 1 UNL1111111111 0.1600 16 H -3.3121 -1.8746 -0.8420 H 1 UNL1111111111 0.1316 17 H -2.4546 0.9207 0.1652 H 1 UNL1111111111 0.1470 18 H -2.8171 0.5299 -1.5206 H 1 UNL1111111111 0.1323 19 H -1.0131 -2.5518 -0.4846 H 1 UNL1111111111 0.1635 20 H -0.9289 -1.0717 -1.4568 H 1 UNL1111111111 0.1592 21 H -5.1726 -0.1620 -0.8405 H 1 UNL1111111111 0.1299 22 H -4.7982 0.2463 0.8371 H 1 UNL1111111111 0.1380 23 H -4.3473 2.6466 0.1552 H 1 UNL1111111111 0.1448 24 H -4.7209 2.2419 -1.5243 H 1 UNL1111111111 0.1401 25 H -5.9838 2.1515 -0.2911 H 1 UNL1111111111 0.1391 26 H 1.2513 -1.6855 -1.4367 H 1 UNL1111111111 0.1460 27 H 1.0582 0.9412 1.9714 H 1 UNL1111111111 0.1681 28 H 3.5322 -0.8947 -1.9347 H 1 UNL1111111111 0.1590 29 H 3.3449 1.7706 1.4703 H 1 UNL1111111111 0.1623 30 H 5.3181 1.5993 0.0375 H 1 UNL1111111111 0.3035 31 H 5.3895 0.5554 -1.2989 H 1 UNL1111111111 0.3019 @BOND 1 1 7 2 2 2 14 1 3 2 30 1 4 2 31 1 5 3 4 1 6 3 5 1 7 3 15 1 8 3 16 1 9 4 6 1 10 4 17 1 11 4 18 1 12 5 7 1 13 5 19 1 14 5 20 1 15 6 9 1 16 6 21 1 17 6 22 1 18 7 8 1 19 8 10 ar 20 8 11 ar 21 9 23 1 22 9 24 1 23 9 25 1 24 10 12 ar 25 10 26 1 26 11 13 ar 27 11 27 1 28 12 14 ar 29 12 28 1 30 13 14 ar 31 13 29 1