6NX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | C3 | sing | 1.35Å | 1.38Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| C3 | N5 | sing | 1.35Å | 1.38Å | |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 122.8° | 120.0° |
| N2 | C1 | H11C | 109.5° | 109.5° |
| N2 | C1 | H12C | 109.5° | 109.5° |
| N2 | C1 | H13C | 109.5° | 109.5° |
| C1 | N2 | H2 | 118.6° | 120.1° |
| N2 | C3 | O4 | 123.7° | 120.0° |
| N2 | C3 | N5 | 112.6° | 119.9° |
| C3 | N2 | H2 | 118.6° | 120.0° |
| O4 | C3 | N5 | 123.7° | 120.0° |
| C3 | N5 | C6 | 122.6° | 120.0° |
| C3 | N5 | H5 | 118.7° | 120.1° |
| N5 | C6 | C7 | 109.6° | 109.4° |
| N5 | C6 | C11 | 109.8° | 109.5° |
| C6 | N5 | H5 | 118.7° | 120.0° |
| N5 | C6 | H6 | 109.2° | 109.5° |
| C7 | C6 | C11 | 111.8° | 109.5° |
| C6 | C7 | C8 | 110.3° | 109.5° |
| C7 | C6 | H6 | 108.2° | 109.5° |
| C6 | C7 | H71C | 109.3° | 109.5° |
| C6 | C7 | H72C | 109.3° | 109.5° |
| C6 | C11 | C10 | 112.8° | 109.5° |
| C11 | C6 | H6 | 108.2° | 109.5° |
| C6 | C11 | H111 | 108.6° | 109.4° |
| C6 | C11 | H112 | 108.6° | 109.5° |
| C7 | C8 | C9 | 111.3° | 109.4° |
| C8 | C7 | H71C | 109.3° | 109.4° |
| C8 | C7 | H72C | 109.2° | 109.4° |
| C7 | C8 | H81C | 109.0° | 109.5° |
| C7 | C8 | H82C | 109.0° | 109.5° |
| C8 | C9 | C10 | 111.7° | 109.4° |
| C9 | C8 | H81C | 109.0° | 109.5° |
| C9 | C8 | H82C | 109.0° | 109.5° |
| C8 | C9 | H91C | 108.9° | 109.5° |
| C8 | C9 | H92C | 108.9° | 109.5° |
| C9 | C10 | C11 | 111.6° | 109.5° |
| C10 | C9 | H91C | 108.9° | 109.5° |
| C10 | C9 | H92C | 108.9° | 109.4° |
| C9 | C10 | H101 | 108.9° | 109.5° |
| C9 | C10 | H102 | 108.9° | 109.4° |
| C10 | C11 | H111 | 108.6° | 109.5° |
| C10 | C11 | H112 | 108.7° | 109.5° |
| C11 | C10 | H101 | 108.9° | 109.5° |
| C11 | C10 | H102 | 109.0° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.4° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | H2 | 180.0° | 180.0° |
| C1 | N2 | C3 | O4 | 20.3° | 0.0° |
| C1 | N2 | C3 | N5 | 160.6° | 180.0° |
| N2 | C1 | H11C | H12C | 120.0° | 120.0° |
| N2 | C1 | H11C | H13C | 120.0° | 120.0° |
| N2 | C1 | H12C | H13C | 120.0° | 120.1° |
| N2 | C3 | O4 | N5 | 179.0° | 180.0° |
| N2 | C3 | N5 | C6 | 175.1° | 180.0° |
| C3 | N2 | C1 | H11C | 180.0° | 180.0° |
| C3 | N2 | C1 | H12C | 60.0° | 60.0° |
| C3 | N2 | C1 | H13C | 60.0° | 60.0° |
| N2 | C3 | N5 | H5 | 4.9° | 0.0° |
| O4 | C3 | N5 | C6 | 4.0° | 0.0° |
| O4 | C3 | N2 | H2 | 159.7° | 180.0° |
| O4 | C3 | N5 | H5 | 176.0° | 180.0° |
| C3 | N5 | C6 | H5 | 180.0° | 180.0° |
| C3 | N5 | C6 | C7 | 159.9° | 155.0° |
| C3 | N5 | C6 | C11 | 76.9° | 85.0° |
| N5 | C3 | N2 | H2 | 19.4° | 0.0° |
| C3 | N5 | C6 | H6 | 41.5° | 35.0° |
| N5 | C6 | C7 | C11 | 122.0° | 120.0° |
| N5 | C6 | C7 | H6 | 119.0° | 120.0° |
| N5 | C6 | C11 | H6 | 119.1° | 120.0° |
| N5 | C6 | C7 | C8 | 177.2° | 180.0° |
| N5 | C6 | C11 | C10 | 174.4° | 180.0° |
| N5 | C6 | C7 | H71C | 62.7° | 60.0° |
| N5 | C6 | C7 | H72C | 57.1° | 60.0° |
| N5 | C6 | C11 | H111 | 53.9° | 60.0° |
| N5 | C6 | C11 | H112 | 65.1° | 60.0° |
| C7 | C6 | C11 | H6 | 119.0° | 120.0° |
| C6 | C7 | C8 | H71C | 120.2° | 120.0° |
| C6 | C7 | C8 | H72C | 120.1° | 120.0° |
| C6 | C7 | C8 | C9 | 57.5° | 60.0° |
| C7 | C6 | C11 | C10 | 52.5° | 60.0° |
| C7 | C6 | N5 | H5 | 20.1° | 25.0° |
| C6 | C7 | H71C | H72C | 119.6° | 120.1° |
| C7 | C6 | C11 | H111 | 68.0° | 60.0° |
| C7 | C6 | C11 | H112 | 173.0° | 180.0° |
| C6 | C7 | C8 | H81C | 62.7° | 60.0° |
| C6 | C7 | C8 | H82C | 177.8° | 180.0° |
| C11 | C6 | C7 | C8 | 55.2° | 60.0° |
| C6 | C11 | C10 | C9 | 51.0° | 60.0° |
| C6 | C11 | C10 | H111 | 120.5° | 120.0° |
| C6 | C11 | C10 | H112 | 120.5° | 120.0° |
| C11 | C6 | N5 | H5 | 103.1° | 95.0° |
| C11 | C6 | C7 | H71C | 175.3° | 180.0° |
| C11 | C6 | C7 | H72C | 64.9° | 60.0° |
| C6 | C11 | H111 | H112 | 118.5° | 120.0° |
| C6 | C11 | C10 | H101 | 69.3° | 60.0° |
| C6 | C11 | C10 | H102 | 171.3° | 180.0° |
| C7 | C8 | C9 | H81C | 120.3° | 120.0° |
| C7 | C8 | C9 | H82C | 120.3° | 120.0° |
| C7 | C8 | C9 | C10 | 56.8° | 60.0° |
| C8 | C7 | C6 | H6 | 63.8° | 60.0° |
| C8 | C7 | H71C | H72C | 119.6° | 119.9° |
| C7 | C8 | H81C | H82C | 119.2° | 120.0° |
| C7 | C8 | C9 | H91C | 177.2° | 180.0° |
| C7 | C8 | C9 | H92C | 63.5° | 60.0° |
| C8 | C9 | C10 | H91C | 120.3° | 120.0° |
| C8 | C9 | C10 | H92C | 120.4° | 120.0° |
| C8 | C9 | C10 | C11 | 53.0° | 60.0° |
| C9 | C8 | C7 | H71C | 177.7° | 180.0° |
| C9 | C8 | C7 | H72C | 62.6° | 60.0° |
| C9 | C8 | H81C | H82C | 119.2° | 120.0° |
| C8 | C9 | H91C | H92C | 118.9° | 120.1° |
| C8 | C9 | C10 | H101 | 67.3° | 60.0° |
| C8 | C9 | C10 | H102 | 173.3° | 180.0° |
| C9 | C10 | C11 | H101 | 120.3° | 120.0° |
| C9 | C10 | C11 | H102 | 120.3° | 120.0° |
| C9 | C10 | C11 | H111 | 69.5° | 60.0° |
| C9 | C10 | C11 | H112 | 171.4° | 180.0° |
| C10 | C9 | C8 | H81C | 63.4° | 60.0° |
| C10 | C9 | C8 | H82C | 177.1° | 180.0° |
| C10 | C9 | H91C | H92C | 119.0° | 120.0° |
| C9 | C10 | H101 | H102 | 119.0° | 119.9° |
| C10 | C11 | C6 | H6 | 66.5° | 60.0° |
| C10 | C11 | H111 | H112 | 118.5° | 120.0° |
| C11 | C10 | C9 | H91C | 173.3° | 180.0° |
| C11 | C10 | C9 | H92C | 67.3° | 60.0° |
| C11 | C10 | H101 | H102 | 119.0° | 120.0° |
| H11C | C1 | H12C | H13C | 120.0° | 119.9° |
| H11C | C1 | N2 | H2 | 0.0° | 0.0° |
| H12C | C1 | N2 | H2 | 120.0° | 120.0° |
| H13C | C1 | N2 | H2 | 120.0° | 120.0° |
| H5 | N5 | C6 | H6 | 138.5° | 145.0° |
| H6 | C6 | C7 | H71C | 56.3° | 60.0° |
| H6 | C6 | C7 | H72C | 176.1° | 180.0° |
| H6 | C6 | C11 | H111 | 173.0° | 180.0° |
| H6 | C6 | C11 | H112 | 54.0° | 60.0° |
| H71C | C7 | C8 | H81C | 57.4° | 60.0° |
| H71C | C7 | C8 | H82C | 62.1° | 60.0° |
| H72C | C7 | C8 | H81C | 177.1° | 180.0° |
| H72C | C7 | C8 | H82C | 57.7° | 60.0° |
| H111 | C11 | C10 | H101 | 170.2° | 180.0° |
| H111 | C11 | C10 | H102 | 50.8° | 60.0° |
| H112 | C11 | C10 | H101 | 51.1° | 60.0° |
| H112 | C11 | C10 | H102 | 68.2° | 60.0° |
| H81C | C8 | C9 | H91C | 56.9° | 60.0° |
| H81C | C8 | C9 | H92C | 176.2° | 180.0° |
| H82C | C8 | C9 | H91C | 62.5° | 60.0° |
| H82C | C8 | C9 | H92C | 56.7° | 60.0° |
| H91C | C9 | C10 | H101 | 53.0° | 60.0° |
| H91C | C9 | C10 | H102 | 66.3° | 60.0° |
| H92C | C9 | C10 | H101 | 172.3° | 180.0° |
| H92C | C9 | C10 | H102 | 53.0° | 60.0° |
