@MOLECULE (3r)-3,7-dimethyl-6-octenenitrile 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.7064 2.3866 0.4049 N.1 1 UNL1111111111 -0.2825 2 C -1.9294 -1.0513 -0.1390 C.3 1 UNL1111111111 -0.0639 3 C -0.4672 -1.0548 0.3323 C.3 1 UNL1111111111 -0.2875 4 C 0.5272 -1.0814 -0.8390 C.3 1 UNL1111111111 -0.2638 5 C -2.2772 0.2318 -0.9339 C.3 1 UNL1111111111 -0.2846 6 C -2.8640 -1.1884 1.0666 C.3 1 UNL1111111111 -0.4614 7 C 1.9250 -1.0520 -0.3093 C.2 1 UNL1111111111 -0.2438 8 C 2.5931 0.0607 0.0220 C.2 1 UNL1111111111 0.0658 9 C -1.9637 1.4279 -0.1897 C.1 1 UNL1111111111 0.1346 10 C 3.9914 -0.0082 0.5503 C.3 1 UNL1111111111 -0.4581 11 C 2.0469 1.4436 -0.0934 C.3 1 UNL1111111111 -0.4609 12 H -2.0887 -1.9242 -0.8199 H 1 UNL1111111111 0.1396 13 H -0.2650 -0.1753 0.9750 H 1 UNL1111111111 0.1544 14 H -0.2879 -1.9332 0.9828 H 1 UNL1111111111 0.1477 15 H 0.3497 -0.2272 -1.5218 H 1 UNL1111111111 0.1396 16 H 0.3655 -1.9883 -1.4546 H 1 UNL1111111111 0.1379 17 H -3.3594 0.2156 -1.2063 H 1 UNL1111111111 0.1749 18 H -1.7303 0.2282 -1.9069 H 1 UNL1111111111 0.1748 19 H -2.7543 -0.3455 1.7606 H 1 UNL1111111111 0.1566 20 H -2.6526 -2.1032 1.6327 H 1 UNL1111111111 0.1513 21 H -3.9152 -1.2297 0.7628 H 1 UNL1111111111 0.1457 22 H 2.3796 -2.0334 -0.1939 H 1 UNL1111111111 0.1457 23 H 4.0417 0.3690 1.5818 H 1 UNL1111111111 0.1573 24 H 4.3934 -1.0291 0.5600 H 1 UNL1111111111 0.1493 25 H 4.6754 0.6030 -0.0548 H 1 UNL1111111111 0.1552 26 H 2.2274 2.0285 0.8204 H 1 UNL1111111111 0.1606 27 H 2.5187 1.9857 -0.9255 H 1 UNL1111111111 0.1575 28 H 0.9624 1.4694 -0.2655 H 1 UNL1111111111 0.1578 @BOND 1 1 9 3 2 2 3 1 3 2 5 1 4 2 6 1 5 2 12 1 6 3 4 1 7 3 13 1 8 3 14 1 9 4 7 1 10 4 15 1 11 4 16 1 12 5 9 1 13 5 17 1 14 5 18 1 15 6 19 1 16 6 20 1 17 6 21 1 18 7 8 2 19 7 22 1 20 8 10 1 21 8 11 1 22 10 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 11 28 1