@MOLECULE 3,3-dimethylpentanenitrile 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.9316 -0.0177 -0.0048 C.3 1 UNL11111111 -0.4297 2 C 1.6572 0.8252 -0.0173 C.3 1 UNL11111111 -0.2795 3 C 0.3579 -0.0145 0.0015 C.3 1 UNL11111111 0.1292 4 C 0.2694 -0.9090 -1.2393 C.3 1 UNL11111111 -0.4705 5 C 0.2799 -0.8656 1.2730 C.3 1 UNL11111111 -0.4705 6 C -0.8328 0.9950 -0.0099 C.3 1 UNL11111111 -0.3057 7 C -2.1099 0.3245 -0.0050 C.1 1 UNL11111111 0.1330 8 N -3.1365 -0.2094 -0.0006 N.1 1 UNL11111111 -0.2793 9 H 3.8226 0.6209 -0.0242 H 1 UNL11111111 0.1401 10 H 2.9983 -0.6418 0.8934 H 1 UNL11111111 0.1454 11 H 2.9882 -0.6809 -0.8750 H 1 UNL11111111 0.1454 12 H 1.6660 1.5087 0.8539 H 1 UNL11111111 0.1373 13 H 1.6618 1.4763 -0.9133 H 1 UNL11111111 0.1373 14 H 1.0611 -1.6673 -1.2418 H 1 UNL11111111 0.1539 15 H -0.6851 -1.4485 -1.2829 H 1 UNL11111111 0.1562 16 H 0.3655 -0.3318 -2.1646 H 1 UNL11111111 0.1479 17 H 0.3874 -0.2571 2.1768 H 1 UNL11111111 0.1478 18 H -0.6755 -1.3999 1.3448 H 1 UNL11111111 0.1560 19 H 1.0697 -1.6255 1.2937 H 1 UNL11111111 0.1539 20 H -0.7517 1.6728 0.8723 H 1 UNL11111111 0.1759 21 H -0.7487 1.6562 -0.9039 H 1 UNL11111111 0.1758 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 3 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 4 14 1 14 4 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1