@MOLECULE 1-isocyanato-4-methyl-pentane 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.3268 0.2685 0.9416 O.2 1 UNL11 -0.5276 2 N 2.0128 -0.5432 -0.7131 N.am 1 UNL11 -0.6034 3 C -2.3177 -0.1314 0.4324 C.3 1 UNL11 -0.0592 4 C -1.0680 -0.1887 -0.4686 C.3 1 UNL11 -0.2873 5 C 0.0220 0.7629 0.0326 C.3 1 UNL11 -0.3042 6 C 1.2806 0.7203 -0.8529 C.3 1 UNL11 -0.0672 7 C -3.1143 1.1545 0.1832 C.3 1 UNL11 -0.4522 8 C -3.2032 -1.3560 0.1672 C.3 1 UNL11 -0.4578 9 C 2.9884 -0.6746 0.2563 C.2 1 UNL11 0.4680 10 H -1.9927 -0.1518 1.5010 H 1 UNL11 0.1326 11 H -0.6797 -1.2235 -0.4925 H 1 UNL11 0.1312 12 H -1.3444 0.0555 -1.5103 H 1 UNL11 0.1376 13 H 0.2981 0.5162 1.0772 H 1 UNL11 0.1571 14 H -0.3624 1.8003 0.0645 H 1 UNL11 0.1465 15 H 1.0137 0.8633 -1.9224 H 1 UNL11 0.1336 16 H 1.9595 1.5632 -0.5701 H 1 UNL11 0.1667 17 H -3.4584 1.2196 -0.8542 H 1 UNL11 0.1434 18 H -3.9986 1.2029 0.8276 H 1 UNL11 0.1428 19 H -2.5115 2.0458 0.3874 H 1 UNL11 0.1436 20 H -3.5266 -1.3982 -0.8779 H 1 UNL11 0.1439 21 H -2.6750 -2.2887 0.3907 H 1 UNL11 0.1406 22 H -4.1051 -1.3339 0.7886 H 1 UNL11 0.1455 23 H 1.6430 -1.3371 -1.2027 H 1 UNL11 0.3023 24 H 3.4549 -1.6668 0.3332 H 1 UNL11 0.1236 @BOND 1 1 9 2 2 2 6 1 3 2 9 am 4 2 23 1 5 3 4 1 6 3 7 1 7 3 8 1 8 3 10 1 9 4 5 1 10 4 11 1 11 4 12 1 12 5 6 1 13 5 13 1 14 5 14 1 15 6 15 1 16 6 16 1 17 7 17 1 18 7 18 1 19 7 19 1 20 8 20 1 21 8 21 1 22 8 22 1 23 9 24 1