@MOLECULE 1-isocyanato-3,3-dimethyl-butane 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8954 1.0894 0.1032 O.2 1 UNL11 -0.5284 2 N -1.9822 -0.9732 -0.0880 N.am 1 UNL11 -0.6110 3 C 1.7291 0.0862 -0.0411 C.3 1 UNL11 0.1316 4 C 0.3556 -0.3479 -0.5994 C.3 1 UNL11 -0.3341 5 C 1.5981 1.3771 0.7796 C.3 1 UNL11 -0.4668 6 C 2.6644 0.3476 -1.2373 C.3 1 UNL11 -0.4674 7 C 2.3340 -1.0253 0.8300 C.3 1 UNL11 -0.4674 8 C -0.7035 -0.5537 0.4977 C.3 1 UNL11 -0.0652 9 C -3.0012 -0.0600 -0.2725 C.2 1 UNL11 0.4691 10 H -0.0073 0.4209 -1.3105 H 1 UNL11 0.1551 11 H 0.4736 -1.2736 -1.1903 H 1 UNL11 0.1376 12 H 1.0557 1.2128 1.7163 H 1 UNL11 0.1453 13 H 1.0582 2.1506 0.2209 H 1 UNL11 0.1527 14 H 2.5804 1.7836 1.0417 H 1 UNL11 0.1472 15 H 2.7742 -0.5434 -1.8629 H 1 UNL11 0.1419 16 H 2.2855 1.1566 -1.8709 H 1 UNL11 0.1471 17 H 3.6654 0.6377 -0.9013 H 1 UNL11 0.1466 18 H 2.4068 -1.9684 0.2794 H 1 UNL11 0.1425 19 H 1.7372 -1.2077 1.7287 H 1 UNL11 0.1427 20 H 3.3437 -0.7595 1.1622 H 1 UNL11 0.1477 21 H -0.8572 0.3956 1.0676 H 1 UNL11 0.1730 22 H -0.3748 -1.3228 1.2300 H 1 UNL11 0.1335 23 H -2.0261 -1.9026 -0.4629 H 1 UNL11 0.3029 24 H -3.9115 -0.4504 -0.7492 H 1 UNL11 0.1239 @BOND 1 1 9 2 2 2 8 1 3 2 9 am 4 2 23 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 7 1 9 4 8 1 10 4 10 1 11 4 11 1 12 5 12 1 13 5 13 1 14 5 14 1 15 6 15 1 16 6 16 1 17 6 17 1 18 7 18 1 19 7 19 1 20 7 20 1 21 8 21 1 22 8 22 1 23 9 24 1