NC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.48Å | |
| C1 | C15 | sing | 1.53Å | 1.54Å | |
| C1 | C19 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | C3 | sing | 1.35Å | 1.38Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | N4 | sing | 1.35Å | 1.36Å | |
| C3 | O10 | doub | 1.22Å | 1.20Å | |
| N4 | C5 | sing | 1.46Å | 1.44Å | |
| 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 | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O13 | sing | 1.34Å | 1.34Å | |
| C12 | O14 | doub | 1.21Å | 1.24Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C15 | 110.1° | 109.5° |
| N2 | C1 | C19 | 109.8° | 109.5° |
| N2 | C1 | H1 | 108.8° | 109.5° |
| C1 | N2 | C3 | 121.5° | 120.0° |
| C1 | N2 | HN2 | 119.2° | 120.0° |
| C15 | C1 | C19 | 109.4° | 109.5° |
| C15 | C1 | H1 | 109.2° | 109.4° |
| C1 | C15 | C16 | 111.6° | 109.5° |
| C1 | C15 | H151 | 108.3° | 109.5° |
| C1 | C15 | H152 | 108.8° | 109.4° |
| C19 | C1 | H1 | 109.4° | 109.5° |
| C1 | C19 | C18 | 110.9° | 109.5° |
| C1 | C19 | H191 | 108.7° | 109.5° |
| C1 | C19 | H192 | 109.0° | 109.5° |
| C3 | N2 | HN2 | 119.3° | 120.0° |
| N2 | C3 | N4 | 117.5° | 120.0° |
| N2 | C3 | O10 | 121.6° | 120.0° |
| N4 | C3 | O10 | 120.3° | 120.0° |
| C3 | N4 | C5 | 112.2° | 120.0° |
| C3 | N4 | HN4 | 123.9° | 120.0° |
| C5 | N4 | HN4 | 123.9° | 120.0° |
| N4 | C5 | C6 | 118.2° | 109.5° |
| N4 | C5 | H51 | 104.6° | 109.5° |
| N4 | C5 | H52 | 106.7° | 109.5° |
| C6 | C5 | H51 | 104.6° | 109.4° |
| C6 | C5 | H52 | 106.6° | 109.5° |
| C5 | C6 | C7 | 95.9° | 109.5° |
| C5 | C6 | H61 | 117.0° | 109.5° |
| C5 | C6 | H62 | 114.3° | 109.4° |
| H51 | C5 | H52 | 116.6° | 109.5° |
| C7 | C6 | H61 | 117.0° | 109.5° |
| C7 | C6 | H62 | 114.3° | 109.5° |
| C6 | C7 | C8 | 125.0° | 109.5° |
| C6 | C7 | H71 | 100.9° | 109.5° |
| C6 | C7 | H72 | 104.6° | 109.5° |
| H61 | C6 | H62 | 99.5° | 109.5° |
| C8 | C7 | H71 | 100.9° | 109.4° |
| C8 | C7 | H72 | 104.6° | 109.5° |
| C7 | C8 | C9 | 93.7° | 109.5° |
| C7 | C8 | H81 | 118.1° | 109.5° |
| C7 | C8 | H82 | 115.1° | 109.4° |
| H71 | C7 | H72 | 122.7° | 109.5° |
| C9 | C8 | H81 | 118.2° | 109.5° |
| C9 | C8 | H82 | 115.1° | 109.5° |
| C8 | C9 | C11 | 121.8° | 109.5° |
| C8 | C9 | H91 | 102.7° | 109.5° |
| C8 | C9 | H92 | 105.6° | 109.5° |
| H81 | C8 | H82 | 98.0° | 109.5° |
| C11 | C9 | H91 | 102.6° | 109.5° |
| C11 | C9 | H92 | 105.5° | 109.5° |
| C9 | C11 | C12 | 109.1° | 109.5° |
| C9 | C11 | H111 | 109.7° | 109.5° |
| C9 | C11 | H112 | 109.6° | 109.4° |
| H91 | C9 | H92 | 119.8° | 109.5° |
| C12 | C11 | H111 | 109.7° | 109.5° |
| C12 | C11 | H112 | 109.6° | 109.5° |
| C11 | C12 | O13 | 109.9° | 120.0° |
| C11 | C12 | O14 | 128.4° | 120.0° |
| H111 | C11 | H112 | 109.2° | 109.5° |
| O13 | C12 | O14 | 121.7° | 120.0° |
| C12 | O13 | H13 | 109.5° | 120.0° |
| C16 | C15 | H151 | 108.3° | 109.5° |
| C16 | C15 | H152 | 108.8° | 109.4° |
| C15 | C16 | C17 | 111.4° | 109.5° |
| C15 | C16 | H161 | 108.4° | 109.4° |
| C15 | C16 | H162 | 108.8° | 109.5° |
| H151 | C15 | H152 | 111.1° | 109.5° |
| C17 | C16 | H161 | 108.4° | 109.5° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C16 | C17 | C18 | 111.6° | 109.5° |
| C16 | C17 | H171 | 108.3° | 109.5° |
| C16 | C17 | H172 | 108.8° | 109.5° |
| H161 | C16 | H162 | 111.0° | 109.5° |
| C18 | C17 | H171 | 108.3° | 109.5° |
| C18 | C17 | H172 | 108.8° | 109.4° |
| C17 | C18 | C19 | 111.2° | 109.5° |
| C17 | C18 | H181 | 108.5° | 109.5° |
| C17 | C18 | H182 | 108.9° | 109.5° |
| H171 | C17 | H172 | 111.1° | 109.5° |
| C19 | C18 | H181 | 108.5° | 109.5° |
| C19 | C18 | H182 | 108.9° | 109.5° |
| C18 | C19 | H191 | 108.6° | 109.4° |
| C18 | C19 | H192 | 109.0° | 109.5° |
| H181 | C18 | H182 | 110.8° | 109.4° |
| H191 | C19 | H192 | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C15 | C19 | 120.8° | 120.0° |
| N2 | C1 | C15 | H1 | 119.4° | 120.0° |
| N2 | C1 | C19 | H1 | 119.4° | 120.0° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C3 | N4 | 170.2° | 180.0° |
| C1 | N2 | C3 | O10 | 1.3° | 0.0° |
| N2 | C1 | C15 | C16 | 178.5° | 180.0° |
| N2 | C1 | C15 | H151 | 59.5° | 60.0° |
| N2 | C1 | C15 | H152 | 61.5° | 60.0° |
| N2 | C1 | C19 | C18 | 178.8° | 180.0° |
| N2 | C1 | C19 | H191 | 61.8° | 60.0° |
| N2 | C1 | C19 | H192 | 58.8° | 60.0° |
| C15 | C1 | C19 | H1 | 119.6° | 119.9° |
| C15 | C1 | N2 | C3 | 122.9° | 155.0° |
| C15 | C1 | N2 | HN2 | 57.1° | 25.0° |
| C1 | C15 | C16 | H151 | 119.1° | 120.0° |
| C1 | C15 | C16 | H152 | 120.0° | 120.0° |
| C1 | C15 | H151 | H152 | 119.4° | 120.0° |
| C1 | C15 | C16 | C17 | 56.1° | 60.0° |
| C1 | C15 | C16 | H161 | 175.3° | 60.0° |
| C1 | C15 | C16 | H162 | 63.9° | 180.0° |
| C15 | C1 | C19 | C18 | 57.9° | 59.9° |
| C15 | C1 | C19 | H191 | 177.2° | 60.0° |
| C15 | C1 | C19 | H192 | 62.1° | 180.0° |
| C19 | C1 | N2 | C3 | 116.5° | 85.0° |
| C19 | C1 | N2 | HN2 | 63.5° | 95.1° |
| C19 | C1 | C15 | C16 | 57.7° | 60.0° |
| C19 | C1 | C15 | H151 | 61.3° | 180.0° |
| C19 | C1 | C15 | H152 | 177.7° | 60.0° |
| C1 | C19 | C18 | C17 | 56.4° | 60.0° |
| C1 | C19 | C18 | H191 | 119.4° | 120.0° |
| C1 | C19 | C18 | H192 | 120.0° | 120.0° |
| C1 | C19 | C18 | H181 | 175.7° | 60.0° |
| C1 | C19 | C18 | H182 | 63.6° | 180.0° |
| C1 | C19 | H191 | H192 | 119.6° | 120.0° |
| H1 | C1 | N2 | C3 | 3.3° | 35.0° |
| H1 | C1 | N2 | HN2 | 176.7° | 144.9° |
| H1 | C1 | C15 | C16 | 62.0° | 60.0° |
| H1 | C1 | C15 | H151 | 178.9° | 60.1° |
| H1 | C1 | C15 | H152 | 58.0° | 180.0° |
| H1 | C1 | C19 | C18 | 61.7° | 60.0° |
| H1 | C1 | C19 | H191 | 57.6° | 179.9° |
| H1 | C1 | C19 | H192 | 178.2° | 60.0° |
| N2 | C3 | N4 | O10 | 171.6° | 180.0° |
| N2 | C3 | N4 | C5 | 168.3° | 180.0° |
| N2 | C3 | N4 | HN4 | 11.7° | 0.1° |
| HN2 | N2 | C3 | N4 | 9.8° | 0.0° |
| HN2 | N2 | C3 | O10 | 178.7° | 180.0° |
| C3 | N4 | C5 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C5 | C6 | 95.6° | 180.0° |
| C3 | N4 | C5 | H51 | 20.2° | 60.0° |
| C3 | N4 | C5 | H52 | 144.4° | 60.0° |
| O10 | C3 | N4 | C5 | 3.3° | 0.0° |
| O10 | C3 | N4 | HN4 | 176.7° | 179.9° |
| N4 | C5 | C6 | H51 | 115.9° | 120.0° |
| N4 | C5 | C6 | H52 | 120.0° | 120.0° |
| N4 | C5 | H51 | H52 | 117.5° | 120.0° |
| N4 | C5 | C6 | C7 | 174.0° | 180.0° |
| N4 | C5 | C6 | H61 | 61.6° | 59.9° |
| N4 | C5 | C6 | H62 | 54.0° | 60.0° |
| HN4 | N4 | C5 | C6 | 84.3° | 0.1° |
| HN4 | N4 | C5 | H51 | 159.8° | 119.9° |
| HN4 | N4 | C5 | H52 | 35.7° | 120.0° |
| C6 | C5 | H51 | H52 | 117.5° | 120.0° |
| C5 | C6 | C7 | H61 | 124.4° | 120.1° |
| C5 | C6 | C7 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 123.6° | 120.0° |
| C5 | C6 | C7 | C8 | 178.3° | 180.0° |
| C5 | C6 | C7 | H71 | 69.9° | 60.0° |
| C5 | C6 | C7 | H72 | 58.3° | 60.0° |
| H51 | C5 | C6 | C7 | 58.1° | 60.0° |
| H51 | C5 | C6 | H61 | 177.5° | 180.0° |
| H51 | C5 | C6 | H62 | 61.9° | 60.0° |
| H52 | C5 | C6 | C7 | 66.0° | 60.0° |
| H52 | C5 | C6 | H61 | 58.4° | 60.0° |
| H52 | C5 | C6 | H62 | 174.0° | 180.0° |
| C7 | C6 | H61 | H62 | 123.6° | 120.0° |
| C6 | C7 | C8 | H71 | 111.8° | 120.0° |
| C6 | C7 | C8 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H72 | 115.3° | 120.0° |
| C6 | C7 | C8 | C9 | 175.9° | 180.0° |
| C6 | C7 | C8 | H81 | 59.3° | 60.0° |
| C6 | C7 | C8 | H82 | 55.9° | 60.0° |
| H61 | C6 | C7 | C8 | 53.9° | 59.9° |
| H61 | C6 | C7 | H71 | 165.7° | 179.9° |
| H61 | C6 | C7 | H72 | 66.1° | 60.0° |
| H62 | C6 | C7 | C8 | 61.7° | 60.0° |
| H62 | C6 | C7 | H71 | 50.1° | 60.0° |
| H62 | C6 | C7 | H72 | 178.3° | 180.0° |
| C8 | C7 | H71 | H72 | 115.4° | 120.0° |
| C7 | C8 | C9 | H81 | 124.8° | 120.1° |
| C7 | C8 | C9 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H82 | 124.1° | 120.0° |
| C7 | C8 | C9 | C11 | 179.7° | 180.0° |
| C7 | C8 | C9 | H91 | 65.9° | 60.0° |
| C7 | C8 | C9 | H92 | 60.3° | 60.0° |
| H71 | C7 | C8 | C9 | 64.1° | 60.0° |
| H71 | C7 | C8 | H81 | 171.0° | 180.0° |
| H71 | C7 | C8 | H82 | 55.9° | 60.0° |
| H72 | C7 | C8 | C9 | 64.1° | 60.0° |
| H72 | C7 | C8 | H81 | 60.7° | 60.0° |
| H72 | C7 | C8 | H82 | 175.9° | 180.0° |
| C9 | C8 | H81 | H82 | 124.2° | 120.0° |
| C8 | C9 | C11 | H91 | 113.8° | 120.0° |
| C8 | C9 | C11 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 116.4° | 120.0° |
| C8 | C9 | C11 | C12 | 176.2° | 180.0° |
| C8 | C9 | C11 | H111 | 63.6° | 60.0° |
| C8 | C9 | C11 | H112 | 56.2° | 60.0° |
| H81 | C8 | C9 | C11 | 55.5° | 59.9° |
| H81 | C8 | C9 | H91 | 169.3° | 180.0° |
| H81 | C8 | C9 | H92 | 64.5° | 60.0° |
| H82 | C8 | C9 | C11 | 59.8° | 60.0° |
| H82 | C8 | C9 | H91 | 54.1° | 60.0° |
| H82 | C8 | C9 | H92 | 179.7° | 180.0° |
| C11 | C9 | H91 | H92 | 116.4° | 120.0° |
| C9 | C11 | C12 | H111 | 120.1° | 120.0° |
| C9 | C11 | C12 | H112 | 120.0° | 120.0° |
| C9 | C11 | H111 | H112 | 120.1° | 120.0° |
| C9 | C11 | C12 | O13 | 179.0° | 180.0° |
| C9 | C11 | C12 | O14 | 0.7° | 0.0° |
| H91 | C9 | C11 | C12 | 62.4° | 60.0° |
| H91 | C9 | C11 | H111 | 177.4° | 180.0° |
| H91 | C9 | C11 | H112 | 57.6° | 60.0° |
| H92 | C9 | C11 | C12 | 63.8° | 60.0° |
| H92 | C9 | C11 | H111 | 56.4° | 60.0° |
| H92 | C9 | C11 | H112 | 176.2° | 180.0° |
| C12 | C11 | H111 | H112 | 120.1° | 120.0° |
| C11 | C12 | O13 | O14 | 179.7° | 180.0° |
| C11 | C12 | O13 | H13 | 179.7° | 180.0° |
| H111 | C11 | C12 | O13 | 58.8° | 60.0° |
| H111 | C11 | C12 | O14 | 120.9° | 120.0° |
| H112 | C11 | C12 | O13 | 61.0° | 60.1° |
| H112 | C11 | C12 | O14 | 119.3° | 120.0° |
| O14 | C12 | O13 | H13 | 0.0° | 0.1° |
| C16 | C15 | H151 | H152 | 119.4° | 120.0° |
| C15 | C16 | C17 | H161 | 119.2° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.5° | 120.0° |
| C15 | C16 | C17 | C18 | 53.7° | 59.9° |
| C15 | C16 | C17 | H171 | 65.5° | 180.0° |
| C15 | C16 | C17 | H172 | 173.7° | 60.0° |
| H151 | C15 | C16 | C17 | 63.0° | 180.0° |
| H151 | C15 | C16 | H161 | 56.2° | 60.1° |
| H151 | C15 | C16 | H162 | 177.0° | 60.0° |
| H152 | C15 | C16 | C17 | 176.1° | 60.0° |
| H152 | C15 | C16 | H161 | 64.8° | 180.0° |
| H152 | C15 | C16 | H162 | 56.1° | 60.0° |
| C17 | C16 | H161 | H162 | 119.5° | 120.0° |
| C16 | C17 | C18 | H171 | 119.1° | 120.0° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.4° | 120.0° |
| C16 | C17 | C18 | C19 | 54.0° | 60.0° |
| C16 | C17 | C18 | H181 | 173.3° | 60.0° |
| C16 | C17 | C18 | H182 | 66.0° | 180.0° |
| H161 | C16 | C17 | C18 | 172.8° | 60.0° |
| H161 | C16 | C17 | H171 | 53.7° | 60.0° |
| H161 | C16 | C17 | H172 | 67.2° | 179.9° |
| H162 | C16 | C17 | C18 | 66.4° | 180.0° |
| H162 | C16 | C17 | H171 | 174.5° | 60.0° |
| H162 | C16 | C17 | H172 | 53.6° | 60.0° |
| C18 | C17 | H171 | H172 | 119.4° | 120.0° |
| C17 | C18 | C19 | H181 | 119.3° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 119.5° | 120.0° |
| C17 | C18 | C19 | H191 | 175.8° | 60.0° |
| C17 | C18 | C19 | H192 | 63.6° | 180.0° |
| H171 | C17 | C18 | C19 | 65.2° | 180.0° |
| H171 | C17 | C18 | H181 | 54.1° | 60.0° |
| H171 | C17 | C18 | H182 | 174.9° | 59.9° |
| H172 | C17 | C18 | C19 | 174.0° | 60.0° |
| H172 | C17 | C18 | H181 | 66.8° | 180.0° |
| H172 | C17 | C18 | H182 | 54.0° | 60.1° |
| C19 | C18 | H181 | H182 | 119.5° | 120.0° |
| C18 | C19 | H191 | H192 | 119.6° | 120.0° |
| H181 | C18 | C19 | H191 | 64.9° | 180.0° |
| H181 | C18 | C19 | H192 | 55.7° | 60.0° |
| H182 | C18 | C19 | H191 | 55.8° | 60.1° |
| H182 | C18 | C19 | H192 | 176.4° | 60.0° |
