NC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.46Å | |
| C1 | C12 | sing | 1.53Å | 1.54Å | |
| C1 | C16 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | N4 | sing | 1.35Å | 1.37Å | |
| C3 | O10 | doub | 1.22Å | 1.20Å | |
| N4 | C5 | sing | 1.47Å | 1.46Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| 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 | 1.51Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | O9 | sing | 1.34Å | 1.35Å | |
| C8 | O11 | doub | 1.21Å | 1.21Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C12 | 111.7° | 109.5° |
| N2 | C1 | C16 | 109.6° | 109.5° |
| N2 | C1 | H1 | 108.0° | 109.5° |
| C1 | N2 | C3 | 123.8° | 120.0° |
| C1 | N2 | HN2 | 118.1° | 120.0° |
| C12 | C1 | C16 | 109.9° | 109.5° |
| C12 | C1 | H1 | 107.6° | 109.5° |
| C1 | C12 | C13 | 110.3° | 109.5° |
| C1 | C12 | H121 | 109.0° | 109.5° |
| C1 | C12 | H122 | 109.2° | 109.4° |
| C16 | C1 | H1 | 109.9° | 109.4° |
| C1 | C16 | C15 | 112.1° | 109.5° |
| C1 | C16 | H161 | 108.0° | 109.4° |
| C1 | C16 | H162 | 108.6° | 109.4° |
| C3 | N2 | HN2 | 118.1° | 120.0° |
| N2 | C3 | N4 | 115.1° | 120.0° |
| N2 | C3 | O10 | 121.9° | 120.0° |
| N4 | C3 | O10 | 123.0° | 120.0° |
| C3 | N4 | C5 | 123.5° | 120.0° |
| C3 | N4 | HN4 | 118.3° | 120.0° |
| C5 | N4 | HN4 | 118.3° | 120.0° |
| N4 | C5 | C6 | 107.5° | 109.5° |
| N4 | C5 | H51 | 110.6° | 109.5° |
| N4 | C5 | H52 | 110.1° | 109.4° |
| C6 | C5 | H51 | 110.6° | 109.5° |
| C6 | C5 | H52 | 110.2° | 109.5° |
| C5 | C6 | C7 | 112.4° | 109.5° |
| C5 | C6 | H61 | 107.8° | 109.5° |
| C5 | C6 | H62 | 108.5° | 109.5° |
| H51 | C5 | H52 | 107.9° | 109.4° |
| C7 | C6 | H61 | 107.8° | 109.5° |
| C7 | C6 | H62 | 108.5° | 109.5° |
| C6 | C7 | C8 | 112.4° | 109.5° |
| C6 | C7 | H71 | 107.9° | 109.5° |
| C6 | C7 | H72 | 108.5° | 109.5° |
| H61 | C6 | H62 | 111.8° | 109.4° |
| C8 | C7 | H71 | 107.8° | 109.4° |
| C8 | C7 | H72 | 108.5° | 109.5° |
| C7 | C8 | O9 | 111.6° | 120.0° |
| C7 | C8 | O11 | 127.2° | 120.0° |
| H71 | C7 | H72 | 111.7° | 109.5° |
| O9 | C8 | O11 | 121.3° | 120.1° |
| C8 | O9 | HO9 | 109.5° | 119.9° |
| C13 | C12 | H121 | 109.0° | 109.5° |
| C13 | C12 | H122 | 109.2° | 109.5° |
| C12 | C13 | C14 | 110.9° | 109.5° |
| C12 | C13 | H131 | 108.7° | 109.4° |
| C12 | C13 | H132 | 109.0° | 109.4° |
| H121 | C12 | H122 | 110.1° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.5° |
| C14 | C13 | H132 | 109.0° | 109.5° |
| C13 | C14 | C15 | 112.5° | 109.5° |
| C13 | C14 | H141 | 107.8° | 109.5° |
| C13 | C14 | H142 | 108.5° | 109.4° |
| H131 | C13 | H132 | 110.6° | 109.5° |
| C15 | C14 | H141 | 107.7° | 109.5° |
| C15 | C14 | H142 | 108.5° | 109.5° |
| C14 | C15 | C16 | 110.0° | 109.5° |
| C14 | C15 | H151 | 109.2° | 109.4° |
| C14 | C15 | H152 | 109.3° | 109.4° |
| H141 | C14 | H142 | 111.9° | 109.5° |
| C16 | C15 | H151 | 109.2° | 109.5° |
| C16 | C15 | H152 | 109.3° | 109.5° |
| C15 | C16 | H161 | 108.0° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.4° |
| H151 | C15 | H152 | 109.9° | 109.5° |
| H161 | C16 | H162 | 111.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C12 | C16 | 121.9° | 120.0° |
| N2 | C1 | C12 | H1 | 118.4° | 120.1° |
| N2 | C1 | C16 | H1 | 118.5° | 120.0° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C3 | N4 | 179.2° | 179.9° |
| C1 | N2 | C3 | O10 | 0.2° | 0.0° |
| N2 | C1 | C12 | C13 | 179.5° | 180.0° |
| N2 | C1 | C12 | H121 | 60.9° | 60.0° |
| N2 | C1 | C12 | H122 | 59.4° | 60.0° |
| N2 | C1 | C16 | C15 | 180.0° | 180.0° |
| N2 | C1 | C16 | H161 | 61.1° | 60.0° |
| N2 | C1 | C16 | H162 | 60.0° | 60.0° |
| C12 | C1 | C16 | H1 | 118.3° | 120.0° |
| C12 | C1 | N2 | C3 | 152.8° | 155.0° |
| C12 | C1 | N2 | HN2 | 27.2° | 24.9° |
| C1 | C12 | C13 | H121 | 119.6° | 120.0° |
| C1 | C12 | C13 | H122 | 120.0° | 119.9° |
| C1 | C12 | H121 | H122 | 119.7° | 119.9° |
| C1 | C12 | C13 | C14 | 58.4° | 60.0° |
| C1 | C12 | C13 | H131 | 177.8° | 60.0° |
| C1 | C12 | C13 | H132 | 61.7° | 180.0° |
| C12 | C1 | C16 | C15 | 56.9° | 60.0° |
| C12 | C1 | C16 | H161 | 175.8° | 60.0° |
| C12 | C1 | C16 | H162 | 63.1° | 179.9° |
| C16 | C1 | N2 | C3 | 85.1° | 85.0° |
| C16 | C1 | N2 | HN2 | 94.9° | 95.1° |
| C16 | C1 | C12 | C13 | 58.7° | 60.0° |
| C16 | C1 | C12 | H121 | 61.0° | 180.0° |
| C16 | C1 | C12 | H122 | 178.7° | 60.0° |
| C1 | C16 | C15 | C14 | 53.5° | 60.0° |
| C1 | C16 | C15 | H161 | 118.9° | 120.0° |
| C1 | C16 | C15 | H162 | 120.0° | 119.9° |
| C1 | C16 | C15 | H151 | 173.3° | 59.9° |
| C1 | C16 | C15 | H152 | 66.5° | 180.0° |
| C1 | C16 | H161 | H162 | 119.3° | 120.0° |
| H1 | C1 | N2 | C3 | 34.6° | 35.0° |
| H1 | C1 | N2 | HN2 | 145.4° | 145.0° |
| H1 | C1 | C12 | C13 | 61.0° | 60.0° |
| H1 | C1 | C12 | H121 | 179.3° | 60.0° |
| H1 | C1 | C12 | H122 | 59.0° | 180.0° |
| H1 | C1 | C16 | C15 | 61.4° | 60.0° |
| H1 | C1 | C16 | H161 | 57.5° | NaN° |
| H1 | C1 | C16 | H162 | 178.6° | 60.0° |
| N2 | C3 | N4 | O10 | 178.9° | 179.9° |
| N2 | C3 | N4 | C5 | 177.9° | 180.0° |
| N2 | C3 | N4 | HN4 | 2.1° | 0.1° |
| HN2 | N2 | C3 | N4 | 0.8° | 0.0° |
| HN2 | N2 | C3 | O10 | 179.8° | 179.9° |
| C3 | N4 | C5 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C5 | C6 | 135.1° | 180.0° |
| C3 | N4 | C5 | H51 | 14.3° | 59.9° |
| C3 | N4 | C5 | H52 | 104.9° | 60.1° |
| O10 | C3 | N4 | C5 | 1.0° | 0.1° |
| O10 | C3 | N4 | HN4 | 179.0° | 180.0° |
| N4 | C5 | C6 | H51 | 120.8° | 120.0° |
| N4 | C5 | C6 | H52 | 120.0° | 120.0° |
| N4 | C5 | H51 | H52 | 120.5° | 120.0° |
| N4 | C5 | C6 | C7 | 166.9° | 180.0° |
| N4 | C5 | C6 | H61 | 74.4° | 60.0° |
| N4 | C5 | C6 | H62 | 46.9° | 60.0° |
| HN4 | N4 | C5 | C6 | 45.0° | 0.1° |
| HN4 | N4 | C5 | H51 | 165.8° | 120.0° |
| HN4 | N4 | C5 | H52 | 75.1° | 120.0° |
| C6 | C5 | H51 | H52 | 120.6° | 120.0° |
| C5 | C6 | C7 | H61 | 118.7° | 120.1° |
| C5 | C6 | C7 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.2° | 120.0° |
| C5 | C6 | C7 | C8 | 180.0° | 180.0° |
| C5 | C6 | C7 | H71 | 61.3° | 60.0° |
| C5 | C6 | C7 | H72 | 60.0° | 60.0° |
| H51 | C5 | C6 | C7 | 46.1° | 60.0° |
| H51 | C5 | C6 | H61 | 164.8° | 180.0° |
| H51 | C5 | C6 | H62 | 73.9° | 60.0° |
| H52 | C5 | C6 | C7 | 73.1° | 60.0° |
| H52 | C5 | C6 | H61 | 45.6° | 60.0° |
| H52 | C5 | C6 | H62 | 166.9° | 180.0° |
| C7 | C6 | H61 | H62 | 119.2° | 120.0° |
| C6 | C7 | C8 | H71 | 118.8° | 120.0° |
| C6 | C7 | C8 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H72 | 119.2° | 120.0° |
| C6 | C7 | C8 | O9 | 179.9° | 180.0° |
| C6 | C7 | C8 | O11 | 0.0° | 0.0° |
| H61 | C6 | C7 | C8 | 61.3° | 60.0° |
| H61 | C6 | C7 | H71 | 180.0° | 179.9° |
| H61 | C6 | C7 | H72 | 58.7° | 60.0° |
| H62 | C6 | C7 | C8 | 60.0° | 60.0° |
| H62 | C6 | C7 | H71 | 58.8° | 60.0° |
| H62 | C6 | C7 | H72 | 180.0° | 180.0° |
| C8 | C7 | H71 | H72 | 119.2° | 120.0° |
| C7 | C8 | O9 | O11 | 179.9° | 179.9° |
| C7 | C8 | O9 | HO9 | 180.0° | 180.0° |
| H71 | C7 | C8 | O9 | 61.2° | 60.0° |
| H71 | C7 | C8 | O11 | 118.8° | 120.0° |
| H72 | C7 | C8 | O9 | 60.0° | 60.0° |
| H72 | C7 | C8 | O11 | 120.0° | 120.0° |
| O11 | C8 | O9 | HO9 | 0.0° | 0.0° |
| C13 | C12 | H121 | H122 | 119.8° | 120.0° |
| C12 | C13 | C14 | H131 | 119.4° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 119.6° | 120.0° |
| C12 | C13 | C14 | C15 | 56.1° | 60.0° |
| C12 | C13 | C14 | H141 | 62.6° | 180.0° |
| C12 | C13 | C14 | H142 | 176.1° | 60.0° |
| H121 | C12 | C13 | C14 | 61.3° | 180.0° |
| H121 | C12 | C13 | H131 | 58.2° | 60.0° |
| H121 | C12 | C13 | H132 | 178.7° | 60.0° |
| H122 | C12 | C13 | C14 | 178.4° | 60.0° |
| H122 | C12 | C13 | H131 | 62.2° | 179.9° |
| H122 | C12 | C13 | H132 | 58.4° | 60.1° |
| C14 | C13 | H131 | H132 | 119.6° | 120.1° |
| C13 | C14 | C15 | H141 | 118.7° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 119.2° | 120.0° |
| C13 | C14 | C15 | C16 | 52.9° | 60.0° |
| C13 | C14 | C15 | H151 | 172.7° | 60.0° |
| C13 | C14 | C15 | H152 | 67.1° | 179.9° |
| H131 | C13 | C14 | C15 | 175.5° | 60.0° |
| H131 | C13 | C14 | H141 | 56.8° | 60.0° |
| H131 | C13 | C14 | H142 | 64.5° | 179.9° |
| H132 | C13 | C14 | C15 | 63.9° | 179.9° |
| H132 | C13 | C14 | H141 | 177.4° | 60.0° |
| H132 | C13 | C14 | H142 | 56.1° | 60.0° |
| C15 | C14 | H141 | H142 | 119.1° | 120.0° |
| C14 | C15 | C16 | H151 | 119.8° | 119.9° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 119.8° | 119.9° |
| C14 | C15 | C16 | H161 | 172.4° | 60.0° |
| C14 | C15 | C16 | H162 | 66.5° | 179.9° |
| H141 | C14 | C15 | C16 | 65.8° | 180.0° |
| H141 | C14 | C15 | H151 | 54.0° | 60.0° |
| H141 | C14 | C15 | H152 | 174.2° | 59.9° |
| H142 | C14 | C15 | C16 | 172.9° | 60.0° |
| H142 | C14 | C15 | H151 | 67.3° | 180.0° |
| H142 | C14 | C15 | H152 | 52.9° | 60.1° |
| C16 | C15 | H151 | H152 | 119.9° | 120.1° |
| C15 | C16 | H161 | H162 | 119.3° | 120.0° |
| H151 | C15 | C16 | H161 | 67.8° | 179.9° |
| H151 | C15 | C16 | H162 | 53.3° | 60.0° |
| H152 | C15 | C16 | H161 | 52.4° | 60.0° |
| H152 | C15 | C16 | H162 | 173.5° | 60.0° |
