@MOLECULE 2-isobutyl-4,5-dihydro-1,3-thiazole 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.4658 -1.1985 -0.1817 S.3 1 UNL1111111111 -0.0698 2 N -0.7068 1.3212 -0.1745 N.2 1 UNL1111111111 -0.4024 3 C 2.1716 0.3274 0.1486 C.3 1 UNL1111111111 -0.0424 4 C 1.1190 -0.1662 -0.8727 C.3 1 UNL1111111111 -0.3076 5 C -0.2583 0.1491 -0.4159 C.2 1 UNL1111111111 0.1794 6 C 2.0672 -0.4594 1.4573 C.3 1 UNL1111111111 -0.4584 7 C 3.5715 0.1730 -0.4546 C.3 1 UNL1111111111 -0.4552 8 C -2.7597 0.0101 0.3264 C.3 1 UNL1111111111 -0.3537 9 C -2.0969 1.4054 0.2616 C.3 1 UNL1111111111 -0.1117 10 H 1.9802 1.4104 0.3574 H 1 UNL1111111111 0.1507 11 H 1.3014 0.3305 -1.8540 H 1 UNL1111111111 0.1726 12 H 1.2646 -1.2497 -1.0605 H 1 UNL1111111111 0.1652 13 H 2.8317 -0.1390 2.1739 H 1 UNL1111111111 0.1465 14 H 2.1947 -1.5352 1.2970 H 1 UNL1111111111 0.1478 15 H 1.0924 -0.3111 1.9363 H 1 UNL1111111111 0.1488 16 H 3.6820 0.7635 -1.3705 H 1 UNL1111111111 0.1441 17 H 4.3409 0.5147 0.2473 H 1 UNL1111111111 0.1470 18 H 3.7937 -0.8710 -0.7000 H 1 UNL1111111111 0.1456 19 H -3.1132 -0.2291 1.3417 H 1 UNL1111111111 0.1652 20 H -3.6253 -0.0655 -0.3500 H 1 UNL1111111111 0.1658 21 H -2.6374 2.0791 -0.4427 H 1 UNL1111111111 0.1616 22 H -2.1168 1.9100 1.2548 H 1 UNL1111111111 0.1606 @BOND 1 1 5 1 2 1 8 1 3 2 5 2 4 2 9 1 5 3 4 1 6 3 6 1 7 3 7 1 8 3 10 1 9 4 5 1 10 4 11 1 11 4 12 1 12 6 13 1 13 6 14 1 14 6 15 1 15 7 16 1 16 7 17 1 17 7 18 1 18 8 9 1 19 8 19 1 20 8 20 1 21 9 21 1 22 9 22 1