@MOLECULE (3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.6930 -0.6621 -1.0292 C.3 1 UNL1111111111 0.0357 2 C -0.0081 1.1636 -0.8614 C.2 1 UNL1111111111 0.4461 3 C -1.0735 -1.0210 0.0306 C.ar 1 UNL1111111111 0.2750 4 C 0.7308 -1.8389 -1.2669 C.3 1 UNL1111111111 -0.0726 5 C 2.1166 -0.5833 0.4490 C.3 1 UNL1111111111 -0.3196 6 C 3.2064 0.4723 0.6635 C.3 1 UNL1111111111 -0.2499 7 C 3.6042 0.5398 2.1375 C.3 1 UNL1111111111 -0.4353 8 N 1.0628 0.5532 -1.5575 N.pl3 1 UNL1111111111 -0.5471 9 N 0.0127 2.4587 -0.9304 N.2 1 UNL1111111111 -0.6575 10 C -1.0189 0.3262 -0.2304 C.ar 1 UNL1111111111 -0.4132 11 S -2.4737 1.0745 0.4119 S.2 1 UNL1111111111 0.2540 12 C -3.0911 -0.4228 1.0339 C.ar 1 UNL1111111111 -0.2107 13 C -2.2470 -1.4518 0.7612 C.ar 1 UNL1111111111 -0.2449 14 O -0.2060 -2.0148 -0.2134 O.3 1 UNL1111111111 -0.3081 15 H 2.6125 -0.8402 -1.6581 H 1 UNL1111111111 0.1511 16 H 0.1810 -1.7237 -2.2209 H 1 UNL1111111111 0.1565 17 H 1.2537 -2.8147 -1.2435 H 1 UNL1111111111 0.1538 18 H 1.2427 -0.3529 1.0895 H 1 UNL1111111111 0.1597 19 H 2.4704 -1.5757 0.7872 H 1 UNL1111111111 0.1528 20 H 4.0917 0.2456 0.0415 H 1 UNL1111111111 0.1317 21 H 2.8417 1.4660 0.3314 H 1 UNL1111111111 0.1487 22 H 4.3729 1.3027 2.3055 H 1 UNL1111111111 0.1433 23 H 2.7467 0.7954 2.7716 H 1 UNL1111111111 0.1466 24 H 4.0034 -0.4166 2.4921 H 1 UNL1111111111 0.1417 25 H 1.7355 1.2382 -1.9216 H 1 UNL1111111111 0.3106 26 H -0.7440 3.0317 -0.6178 H 1 UNL1111111111 0.2825 27 H -4.0328 -0.4746 1.5573 H 1 UNL1111111111 0.1839 28 H -2.3881 -2.4878 1.0317 H 1 UNL1111111111 0.1853 @BOND 1 1 4 1 2 1 5 1 3 1 8 1 4 1 15 1 5 2 8 1 6 2 9 2 7 2 10 1 8 3 10 ar 9 3 13 ar 10 3 14 1 11 4 14 1 12 4 16 1 13 4 17 1 14 5 6 1 15 5 18 1 16 5 19 1 17 6 7 1 18 6 20 1 19 6 21 1 20 7 22 1 21 7 23 1 22 7 24 1 23 8 25 1 24 9 26 1 25 10 11 ar 26 11 12 ar 27 12 13 ar 28 12 27 1 29 13 28 1