@MOLECULE myristonitrile 42 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -8.6922 0.2412 0.0066 C.3 1 UNL111111111 -0.8024 2 C -7.4063 -0.5857 -0.0027 C.3 1 UNL111111111 -0.1343 3 C -6.1696 0.3229 0.0047 C.3 1 UNL111111111 -0.3146 4 C -4.8825 -0.5114 -0.0030 C.3 1 UNL111111111 -0.4813 5 C -3.6462 0.3968 0.0020 C.3 1 UNL111111111 -0.2651 6 C -2.3602 -0.4395 -0.0033 C.3 1 UNL111111111 -0.2832 7 C -1.1229 0.4676 -0.0005 C.3 1 UNL111111111 -0.4094 8 C 0.1623 -0.3698 -0.0034 C.3 1 UNL111111111 -0.3317 9 C 1.4002 0.5362 -0.0025 C.3 1 UNL111111111 -0.2525 10 C 2.6846 -0.3025 -0.0028 C.3 1 UNL111111111 -0.4105 11 C 3.9225 0.6039 -0.0034 C.3 1 UNL111111111 -0.3833 12 C 5.2030 -0.2381 -0.0008 C.3 1 UNL111111111 -0.2071 13 C 6.4449 0.6704 -0.0023 C.3 1 UNL111111111 -0.4591 14 C 7.6529 -0.1211 0.0038 C.1 1 UNL111111111 0.1491 15 N 8.6209 -0.7542 0.0089 N.1 1 UNL111111111 -0.2600 16 H -8.7521 0.8789 0.8955 H 1 UNL111111111 0.2345 17 H -8.7558 0.8927 -0.8719 H 1 UNL111111111 0.2155 18 H -9.5780 -0.4034 0.0034 H 1 UNL111111111 0.2342 19 H -7.3855 -1.2611 0.8731 H 1 UNL111111111 0.1503 20 H -7.3871 -1.2433 -0.8922 H 1 UNL111111111 0.1319 21 H -6.1905 0.9821 0.8921 H 1 UNL111111111 0.1735 22 H -6.1912 0.9964 -0.8721 H 1 UNL111111111 0.1548 23 H -4.8624 -1.1843 0.8743 H 1 UNL111111111 0.2098 24 H -4.8644 -1.1705 -0.8913 H 1 UNL111111111 0.1919 25 H -3.6657 1.0581 0.8880 H 1 UNL111111111 0.1563 26 H -3.6661 1.0675 -0.8771 H 1 UNL111111111 0.1383 27 H -2.3412 -1.1100 0.8758 H 1 UNL111111111 0.1749 28 H -2.3429 -1.1009 -0.8900 H 1 UNL111111111 0.1575 29 H -1.1420 1.1313 0.8838 H 1 UNL111111111 0.1809 30 H -1.1422 1.1360 -0.8814 H 1 UNL111111111 0.1635 31 H 0.1801 -1.0384 0.8773 H 1 UNL111111111 0.1838 32 H 0.1788 -1.0336 -0.8884 H 1 UNL111111111 0.1660 33 H 1.3805 1.2021 0.8801 H 1 UNL111111111 0.1557 34 H 1.3810 1.2024 -0.8851 H 1 UNL111111111 0.1366 35 H 2.7001 -0.9692 0.8799 H 1 UNL111111111 0.1995 36 H 2.6997 -0.9687 -0.8860 H 1 UNL111111111 0.1832 37 H 3.8998 1.2718 0.8783 H 1 UNL111111111 0.1843 38 H 3.9014 1.2678 -0.8884 H 1 UNL111111111 0.1692 39 H 5.2201 -0.9044 0.8836 H 1 UNL111111111 0.1851 40 H 5.2211 -0.9080 -0.8833 H 1 UNL111111111 0.1632 41 H 6.4205 1.3516 0.8817 H 1 UNL111111111 0.2370 42 H 6.4248 1.3433 -0.8929 H 1 UNL111111111 0.2140 @BOND 1 42 13 1 2 20 2 1 3 24 4 1 4 28 6 1 5 38 11 1 6 32 8 1 7 36 10 1 8 34 9 1 9 40 12 1 10 30 7 1 11 26 5 1 12 22 3 1 13 17 1 1 14 8 9 1 15 8 7 1 16 8 31 1 17 11 10 1 18 11 12 1 19 11 37 1 20 6 7 1 21 6 5 1 22 6 27 1 23 4 5 1 24 4 3 1 25 4 23 1 26 10 9 1 27 10 35 1 28 2 3 1 29 2 1 1 30 2 19 1 31 9 33 1 32 13 12 1 33 13 14 1 34 13 41 1 35 12 39 1 36 7 29 1 37 5 25 1 38 18 1 1 39 14 15 3 40 3 21 1 41 1 16 1