@MOLECULE 4,4-dimethylpentanenitrile 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.6123 0.7733 -1.2590 C.3 1 UNL111111111 -0.4661 2 C -1.3185 -0.0552 -0.0001 C.3 1 UNL111111111 0.1303 3 C -1.6143 0.7827 1.2522 C.3 1 UNL111111111 -0.4662 4 C -2.2284 -1.2979 0.0040 C.3 1 UNL111111111 -0.4676 5 C 0.1473 -0.5478 0.0025 C.3 1 UNL111111111 -0.2872 6 C 1.1737 0.5965 0.0004 C.3 1 UNL111111111 -0.2642 7 C 2.5166 0.0658 -0.0004 C.1 1 UNL111111111 0.1165 8 N 3.5919 -0.3607 0.0001 N.1 1 UNL111111111 -0.2680 9 H -1.0669 1.7220 -1.2633 H 1 UNL111111111 0.1424 10 H -1.3431 0.2275 -2.1695 H 1 UNL111111111 0.1476 11 H -2.6783 1.0183 -1.3288 H 1 UNL111111111 0.1482 12 H -2.6816 1.0219 1.3221 H 1 UNL111111111 0.1482 13 H -1.3404 0.2469 2.1673 H 1 UNL111111111 0.1475 14 H -1.0743 1.7343 1.2463 H 1 UNL111111111 0.1425 15 H -2.0578 -1.9254 -0.8770 H 1 UNL111111111 0.1469 16 H -2.0600 -1.9168 0.8914 H 1 UNL111111111 0.1469 17 H -3.2861 -1.0141 0.0011 H 1 UNL111111111 0.1469 18 H 0.3139 -1.1925 0.8880 H 1 UNL111111111 0.1503 19 H 0.3145 -1.1998 -0.8775 H 1 UNL111111111 0.1504 20 H 1.0145 1.2543 -0.8874 H 1 UNL111111111 0.1775 21 H 1.0168 1.2535 0.8894 H 1 UNL111111111 0.1774 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 3 8 1 9 1 9 1 10 1 10 1 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1