NC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.47Å | |
| C1 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | C18 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | C3 | sing | 1.35Å | 1.39Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | N4 | sing | 1.35Å | 1.39Å | |
| C3 | O10 | doub | 1.22Å | 1.21Å | |
| N4 | C5 | sing | 1.46Å | 1.47Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C11 | sing | 1.51Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | O12 | sing | 1.34Å | 1.37Å | |
| C11 | O13 | doub | 1.21Å | 1.23Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.58Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C14 | 111.5° | 109.5° |
| N2 | C1 | C18 | 109.7° | 109.5° |
| N2 | C1 | H1 | 107.8° | 109.5° |
| C1 | N2 | C3 | 123.6° | 120.0° |
| C1 | N2 | HN2 | 118.2° | 120.0° |
| C14 | C1 | C18 | 109.1° | 109.4° |
| C14 | C1 | H1 | 108.4° | 109.4° |
| C1 | C14 | C15 | 111.3° | 109.5° |
| C1 | C14 | H141 | 108.4° | 109.5° |
| C1 | C14 | H142 | 108.8° | 109.5° |
| C18 | C1 | H1 | 110.3° | 109.5° |
| C1 | C18 | C17 | 111.8° | 109.5° |
| C1 | C18 | H181 | 108.2° | 109.5° |
| C1 | C18 | H182 | 108.7° | 109.4° |
| C3 | N2 | HN2 | 118.2° | 120.0° |
| N2 | C3 | N4 | 115.5° | 120.0° |
| N2 | C3 | O10 | 122.3° | 120.0° |
| N4 | C3 | O10 | 122.2° | 120.0° |
| C3 | N4 | C5 | 122.4° | 120.0° |
| C3 | N4 | HN4 | 118.8° | 120.0° |
| C5 | N4 | HN4 | 118.8° | 120.0° |
| N4 | C5 | C6 | 107.9° | 109.5° |
| N4 | C5 | H51 | 110.4° | 109.4° |
| N4 | C5 | H52 | 110.0° | 109.5° |
| C6 | C5 | H51 | 110.3° | 109.5° |
| C6 | C5 | H52 | 110.0° | 109.5° |
| C5 | C6 | C7 | 114.4° | 109.5° |
| C5 | C6 | H61 | 106.7° | 109.4° |
| C5 | C6 | H62 | 107.9° | 109.5° |
| H51 | C5 | H52 | 108.3° | 109.5° |
| C7 | C6 | H61 | 106.7° | 109.5° |
| C7 | C6 | H62 | 107.8° | 109.5° |
| C6 | C7 | C8 | 111.2° | 109.5° |
| C6 | C7 | H71 | 108.5° | 109.4° |
| C6 | C7 | H72 | 108.9° | 109.5° |
| H61 | C6 | H62 | 113.4° | 109.5° |
| C8 | C7 | H71 | 108.5° | 109.4° |
| C8 | C7 | H72 | 108.9° | 109.5° |
| C7 | C8 | C9 | 112.8° | 109.5° |
| C7 | C8 | H81 | 107.6° | 109.5° |
| C7 | C8 | H82 | 108.4° | 109.5° |
| H71 | C7 | H72 | 110.8° | 109.5° |
| C9 | C8 | H81 | 107.7° | 109.4° |
| C9 | C8 | H82 | 108.4° | 109.5° |
| C8 | C9 | C11 | 114.0° | 109.5° |
| C8 | C9 | H91 | 106.9° | 109.4° |
| C8 | C9 | H92 | 108.0° | 109.5° |
| H81 | C8 | H82 | 112.1° | 109.5° |
| C11 | C9 | H91 | 107.0° | 109.5° |
| C11 | C9 | H92 | 108.0° | 109.5° |
| C9 | C11 | O12 | 110.6° | 120.0° |
| C9 | C11 | O13 | 127.8° | 120.0° |
| H91 | C9 | H92 | 113.1° | 109.5° |
| O12 | C11 | O13 | 121.5° | 120.0° |
| C11 | O12 | H12 | 109.5° | 120.0° |
| C15 | C14 | H141 | 108.4° | 109.4° |
| C15 | C14 | H142 | 108.9° | 109.5° |
| C14 | C15 | C16 | 111.2° | 109.5° |
| C14 | C15 | H151 | 108.5° | 109.4° |
| C14 | C15 | H152 | 108.9° | 109.5° |
| H141 | C14 | H142 | 111.0° | 109.4° |
| C16 | C15 | H151 | 108.5° | 109.5° |
| C16 | C15 | H152 | 108.9° | 109.5° |
| C15 | C16 | C17 | 113.1° | 109.5° |
| C15 | C16 | H161 | 107.5° | 109.5° |
| C15 | C16 | H162 | 108.3° | 109.5° |
| H151 | C15 | H152 | 110.8° | 109.5° |
| C17 | C16 | H161 | 107.5° | 109.4° |
| C17 | C16 | H162 | 108.3° | 109.4° |
| C16 | C17 | C18 | 109.7° | 109.4° |
| C16 | C17 | H171 | 109.4° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.5° |
| H161 | C16 | H162 | 112.3° | 109.5° |
| C18 | C17 | H171 | 109.3° | 109.5° |
| C18 | C17 | H172 | 109.4° | 109.5° |
| C17 | C18 | H181 | 108.2° | 109.5° |
| C17 | C18 | H182 | 108.7° | 109.5° |
| H171 | C17 | H172 | 109.6° | 109.5° |
| H181 | C18 | H182 | 111.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C14 | C18 | 121.3° | 120.0° |
| N2 | C1 | C14 | H1 | 118.6° | 120.0° |
| N2 | C1 | C18 | H1 | 118.6° | 120.0° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C3 | N4 | 166.0° | 180.0° |
| C1 | N2 | C3 | O10 | 12.0° | 0.1° |
| N2 | C1 | C14 | C15 | 179.5° | 180.0° |
| N2 | C1 | C14 | H141 | 60.3° | 60.0° |
| N2 | C1 | C14 | H142 | 60.5° | 60.0° |
| N2 | C1 | C18 | C17 | 179.9° | 180.0° |
| N2 | C1 | C18 | H181 | 61.1° | 60.0° |
| N2 | C1 | C18 | H182 | 59.9° | 60.0° |
| C14 | C1 | C18 | H1 | 119.0° | 119.9° |
| C14 | C1 | N2 | C3 | 152.2° | 155.0° |
| C14 | C1 | N2 | HN2 | 27.8° | 25.0° |
| C1 | C14 | C15 | H141 | 119.2° | 120.0° |
| C1 | C14 | C15 | H142 | 120.0° | 120.0° |
| C1 | C14 | H141 | H142 | 119.5° | 120.0° |
| C1 | C14 | C15 | C16 | 56.8° | 60.0° |
| C1 | C14 | C15 | H151 | 176.0° | 60.0° |
| C1 | C14 | C15 | H152 | 63.2° | 180.0° |
| C14 | C1 | C18 | C17 | 57.5° | 60.0° |
| C14 | C1 | C18 | H181 | 176.5° | 60.1° |
| C14 | C1 | C18 | H182 | 62.5° | 180.0° |
| C18 | C1 | N2 | C3 | 86.9° | 85.0° |
| C18 | C1 | N2 | HN2 | 93.1° | 95.0° |
| C18 | C1 | C14 | C15 | 58.2° | 60.0° |
| C18 | C1 | C14 | H141 | 61.0° | 180.0° |
| C18 | C1 | C14 | H142 | 178.2° | 60.0° |
| C1 | C18 | C17 | C16 | 55.0° | 60.0° |
| C1 | C18 | C17 | H181 | 119.0° | 120.0° |
| C1 | C18 | C17 | H182 | 120.0° | 120.0° |
| C1 | C18 | C17 | H171 | 174.9° | 60.0° |
| C1 | C18 | C17 | H172 | 65.0° | 180.0° |
| C1 | C18 | H181 | H182 | 119.3° | 119.9° |
| H1 | C1 | N2 | C3 | 33.3° | 35.0° |
| H1 | C1 | N2 | HN2 | 146.7° | 145.0° |
| H1 | C1 | C14 | C15 | 62.0° | 60.0° |
| H1 | C1 | C14 | H141 | 178.8° | 60.0° |
| H1 | C1 | C14 | H142 | 58.0° | 180.0° |
| H1 | C1 | C18 | C17 | 61.5° | 59.9° |
| H1 | C1 | C18 | H181 | 57.5° | 180.0° |
| H1 | C1 | C18 | H182 | 178.5° | 60.0° |
| N2 | C3 | N4 | O10 | 178.0° | 180.0° |
| N2 | C3 | N4 | C5 | 177.1° | 179.9° |
| N2 | C3 | N4 | HN4 | 2.9° | 0.0° |
| HN2 | N2 | C3 | N4 | 14.0° | 0.0° |
| HN2 | N2 | C3 | O10 | 168.0° | 180.0° |
| C3 | N4 | C5 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C5 | C6 | 124.1° | 180.0° |
| C3 | N4 | C5 | H51 | 3.5° | 60.0° |
| C3 | N4 | C5 | H52 | 115.9° | 59.9° |
| O10 | C3 | N4 | C5 | 0.9° | 0.0° |
| O10 | C3 | N4 | HN4 | 179.1° | 179.9° |
| N4 | C5 | C6 | H51 | 120.6° | 119.9° |
| N4 | C5 | C6 | H52 | 120.0° | 120.1° |
| N4 | C5 | H51 | H52 | 120.5° | 120.0° |
| N4 | C5 | C6 | C7 | 179.9° | 180.0° |
| N4 | C5 | C6 | H61 | 62.3° | 60.1° |
| N4 | C5 | C6 | H62 | 59.9° | 59.9° |
| HN4 | N4 | C5 | C6 | 55.9° | 0.1° |
| HN4 | N4 | C5 | H51 | 176.5° | 120.1° |
| HN4 | N4 | C5 | H52 | 64.1° | 120.0° |
| C6 | C5 | H51 | H52 | 120.4° | 120.0° |
| C5 | C6 | C7 | H61 | 117.8° | 119.9° |
| C5 | C6 | C7 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 118.7° | 120.0° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C7 | H71 | 60.4° | 60.1° |
| C5 | C6 | C7 | H72 | 60.3° | 60.0° |
| H51 | C5 | C6 | C7 | 59.3° | 60.0° |
| H51 | C5 | C6 | H61 | 177.1° | 180.0° |
| H51 | C5 | C6 | H62 | 60.7° | 60.0° |
| H52 | C5 | C6 | C7 | 60.1° | 60.0° |
| H52 | C5 | C6 | H61 | 57.7° | 60.0° |
| H52 | C5 | C6 | H62 | 179.9° | 180.0° |
| C7 | C6 | H61 | H62 | 118.6° | 120.1° |
| C6 | C7 | C8 | H71 | 119.3° | 119.9° |
| C6 | C7 | C8 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H72 | 119.5° | 120.0° |
| C6 | C7 | C8 | C9 | 179.6° | 180.0° |
| C6 | C7 | C8 | H81 | 61.9° | 60.0° |
| C6 | C7 | C8 | H82 | 59.5° | 60.0° |
| H61 | C6 | C7 | C8 | 62.5° | 60.1° |
| H61 | C6 | C7 | H71 | 178.2° | 180.0° |
| H61 | C6 | C7 | H72 | 57.5° | 59.9° |
| H62 | C6 | C7 | C8 | 59.7° | 60.0° |
| H62 | C6 | C7 | H71 | 59.6° | 60.0° |
| H62 | C6 | C7 | H72 | 179.7° | 180.0° |
| C8 | C7 | H71 | H72 | 119.5° | 120.1° |
| C7 | C8 | C9 | H81 | 118.6° | 120.0° |
| C7 | C8 | C9 | H82 | 120.0° | 120.1° |
| C7 | C8 | H81 | H82 | 119.1° | 120.0° |
| C7 | C8 | C9 | C11 | 179.6° | 180.0° |
| C7 | C8 | C9 | H91 | 62.4° | 60.1° |
| C7 | C8 | C9 | H92 | 59.5° | 60.0° |
| H71 | C7 | C8 | C9 | 60.3° | 60.1° |
| H71 | C7 | C8 | H81 | 178.8° | 180.0° |
| H71 | C7 | C8 | H82 | 59.8° | 60.0° |
| H72 | C7 | C8 | C9 | 60.5° | 60.0° |
| H72 | C7 | C8 | H81 | 58.1° | 59.9° |
| H72 | C7 | C8 | H82 | 179.5° | 180.0° |
| C9 | C8 | H81 | H82 | 119.1° | 120.0° |
| C8 | C9 | C11 | H91 | 118.0° | 119.9° |
| C8 | C9 | C11 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 118.7° | 120.0° |
| C8 | C9 | C11 | O12 | 179.0° | 180.0° |
| C8 | C9 | C11 | O13 | 0.1° | 0.1° |
| H81 | C8 | C9 | C11 | 61.0° | 60.0° |
| H81 | C8 | C9 | H91 | 179.0° | 180.0° |
| H81 | C8 | C9 | H92 | 59.0° | 60.0° |
| H82 | C8 | C9 | C11 | 60.4° | 59.9° |
| H82 | C8 | C9 | H91 | 57.6° | 60.0° |
| H82 | C8 | C9 | H92 | 179.5° | 180.0° |
| C11 | C9 | H91 | H92 | 118.8° | 120.1° |
| C9 | C11 | O12 | O13 | 179.1° | 179.9° |
| C9 | C11 | O12 | H12 | 179.1° | 180.0° |
| H91 | C9 | C11 | O12 | 61.0° | 60.1° |
| H91 | C9 | C11 | O13 | 118.0° | 120.0° |
| H92 | C9 | C11 | O12 | 61.0° | 60.0° |
| H92 | C9 | C11 | O13 | 120.0° | 119.9° |
| O13 | C11 | O12 | H12 | 0.0° | 0.1° |
| C15 | C14 | H141 | H142 | 119.5° | 119.9° |
| C14 | C15 | C16 | H151 | 119.3° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 119.5° | 120.0° |
| C14 | C15 | C16 | C17 | 54.8° | 60.0° |
| C14 | C15 | C16 | H161 | 63.6° | 180.0° |
| C14 | C15 | C16 | H162 | 174.8° | 60.0° |
| H141 | C14 | C15 | C16 | 62.4° | 180.0° |
| H141 | C14 | C15 | H151 | 56.8° | 60.0° |
| H141 | C14 | C15 | H152 | 177.6° | 60.0° |
| H142 | C14 | C15 | C16 | 176.8° | 60.0° |
| H142 | C14 | C15 | H151 | 64.0° | 180.0° |
| H142 | C14 | C15 | H152 | 56.8° | 60.0° |
| C16 | C15 | H151 | H152 | 119.5° | 120.0° |
| C15 | C16 | C17 | H161 | 118.4° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.0° | 120.1° |
| C15 | C16 | C17 | C18 | 53.1° | 60.0° |
| C15 | C16 | C17 | H171 | 173.0° | 60.0° |
| C15 | C16 | C17 | H172 | 66.9° | 180.0° |
| H151 | C15 | C16 | C17 | 174.0° | 60.0° |
| H151 | C15 | C16 | H161 | 55.6° | 60.0° |
| H151 | C15 | C16 | H162 | 65.9° | 179.9° |
| H152 | C15 | C16 | C17 | 65.2° | 180.0° |
| H152 | C15 | C16 | H161 | 176.4° | 60.0° |
| H152 | C15 | C16 | H162 | 54.8° | 60.0° |
| C17 | C16 | H161 | H162 | 119.0° | 119.9° |
| C16 | C17 | C18 | H171 | 119.9° | 120.0° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.9° | 120.0° |
| C16 | C17 | C18 | H181 | 174.0° | 60.0° |
| C16 | C17 | C18 | H182 | 65.0° | 180.0° |
| H161 | C16 | C17 | C18 | 65.4° | 180.0° |
| H161 | C16 | C17 | H171 | 54.5° | 60.1° |
| H161 | C16 | C17 | H172 | 174.6° | 60.0° |
| H162 | C16 | C17 | C18 | 173.0° | 60.0° |
| H162 | C16 | C17 | H171 | 67.0° | 180.0° |
| H162 | C16 | C17 | H172 | 53.0° | 60.0° |
| C18 | C17 | H171 | H172 | 119.9° | 120.0° |
| C17 | C18 | H181 | H182 | 119.4° | 120.0° |
| H171 | C17 | C18 | H181 | 66.1° | 180.0° |
| H171 | C17 | C18 | H182 | 54.9° | 60.0° |
| H172 | C17 | C18 | H181 | 54.0° | 59.9° |
| H172 | C17 | C18 | H182 | 175.0° | 60.1° |
