N9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.45Å | Aromatic |
| C1 | F41 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.46Å | Aromatic |
| C3 | C10 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | F40 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | N1 | doub | 1.29Å | 1.33Å | |
| C10 | C14 | sing | 1.51Å | 1.50Å | |
| N1 | N12 | sing | 1.39Å | 1.33Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C29 | sing | 1.35Å | 1.41Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | C17 | sing | 1.51Å | 1.55Å | |
| C13 | C7 | sing | 1.53Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C17 | C19 | sing | 1.38Å | 1.45Å | Aromatic |
| C17 | C23 | doub | 1.38Å | 1.47Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.45Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.45Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.45Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | N30 | sing | 1.35Å | 1.37Å | |
| C29 | O39 | doub | 1.22Å | 1.23Å | |
| N30 | C31 | sing | 1.46Å | 1.45Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C31 | C9 | sing | 1.53Å | 1.50Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C11 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N2 | HN21 | sing | 1.01Å | 1.00Å | |
| N2 | HN22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 125.5° | 120.2° |
| C2 | C1 | F41 | 116.3° | 120.0° |
| C1 | C2 | C3 | 114.1° | 119.9° |
| C1 | C2 | H2 | 123.0° | 120.1° |
| C6 | C1 | F41 | 118.2° | 119.9° |
| C1 | C6 | C5 | 120.9° | 120.3° |
| C1 | C6 | H6 | 119.6° | 119.9° |
| C3 | C2 | H2 | 123.0° | 120.0° |
| C2 | C3 | C4 | 120.3° | 119.7° |
| C2 | C3 | C10 | 117.8° | 120.2° |
| C4 | C3 | C10 | 121.8° | 120.2° |
| C3 | C4 | C5 | 125.0° | 119.8° |
| C3 | C4 | F40 | 115.9° | 120.1° |
| C3 | C10 | N1 | 124.7° | 125.2° |
| C3 | C10 | C14 | 127.4° | 125.2° |
| C5 | C4 | F40 | 118.9° | 120.1° |
| C4 | C5 | C6 | 114.0° | 120.2° |
| C4 | C5 | H5 | 123.0° | 119.9° |
| C6 | C5 | H5 | 123.0° | 119.9° |
| C5 | C6 | H6 | 119.6° | 119.8° |
| N1 | C10 | C14 | 107.2° | 109.5° |
| C10 | N1 | N12 | 115.1° | 114.1° |
| C10 | C14 | C13 | 102.9° | 103.9° |
| C10 | C14 | H141 | 113.2° | 110.5° |
| C10 | C14 | H142 | 111.7° | 110.6° |
| N1 | N12 | C13 | 108.7° | 108.9° |
| N1 | N12 | C29 | 122.3° | 125.6° |
| C13 | N12 | C29 | 127.7° | 125.5° |
| N12 | C13 | C14 | 103.7° | 103.5° |
| N12 | C13 | C17 | 112.0° | 110.9° |
| N12 | C13 | C7 | 106.4° | 110.3° |
| N12 | C29 | N30 | 119.3° | 120.0° |
| N12 | C29 | O39 | 116.7° | 120.0° |
| C14 | C13 | C17 | 108.9° | 110.6° |
| C14 | C13 | C7 | 113.0° | 110.7° |
| C13 | C14 | H141 | 113.1° | 110.7° |
| C13 | C14 | H142 | 111.7° | 110.3° |
| C17 | C13 | C7 | 112.5° | 110.7° |
| C13 | C17 | C19 | 120.0° | 120.0° |
| C13 | C17 | C23 | 119.8° | 120.0° |
| C13 | C7 | C8 | 118.7° | 109.5° |
| C13 | C7 | H71 | 104.3° | 109.4° |
| C13 | C7 | H72 | 106.5° | 109.5° |
| H141 | C14 | H142 | 104.5° | 110.6° |
| C19 | C17 | C23 | 120.2° | 120.0° |
| C17 | C19 | C20 | 119.7° | 120.0° |
| C17 | C19 | H19 | 120.1° | 120.0° |
| C17 | C23 | C22 | 120.7° | 120.0° |
| C17 | C23 | H23 | 119.6° | 120.0° |
| C20 | C19 | H19 | 120.1° | 120.0° |
| C19 | C20 | C21 | 118.9° | 120.0° |
| C19 | C20 | H20 | 120.6° | 120.0° |
| C21 | C20 | H20 | 120.6° | 120.0° |
| C20 | C21 | C22 | 123.4° | 120.0° |
| C20 | C21 | H21 | 118.3° | 120.0° |
| C22 | C21 | H21 | 118.3° | 120.0° |
| C21 | C22 | C23 | 116.9° | 120.0° |
| C21 | C22 | H22 | 121.5° | 120.0° |
| C23 | C22 | H22 | 121.5° | 120.0° |
| C22 | C23 | H23 | 119.7° | 120.0° |
| N30 | C29 | O39 | 124.0° | 120.0° |
| C29 | N30 | C31 | 117.4° | 120.0° |
| C29 | N30 | HN30 | 121.3° | 120.0° |
| C31 | N30 | HN30 | 121.3° | 120.0° |
| N30 | C31 | C9 | 107.0° | 109.5° |
| N30 | C31 | H311 | 110.9° | 109.5° |
| N30 | C31 | H312 | 110.3° | 109.5° |
| C9 | C31 | H311 | 110.9° | 109.4° |
| C9 | C31 | H312 | 110.3° | 109.5° |
| C31 | C9 | H91 | 109.5° | 109.5° |
| C31 | C9 | H92 | 109.5° | 109.4° |
| C31 | C9 | H93 | 109.5° | 109.5° |
| H311 | C31 | H312 | 107.5° | 109.4° |
| C8 | C7 | H71 | 104.3° | 109.4° |
| C8 | C7 | H72 | 106.5° | 109.5° |
| C7 | C8 | C11 | 112.5° | 109.5° |
| C7 | C8 | H81 | 107.8° | 109.4° |
| C7 | C8 | H82 | 108.5° | 109.5° |
| H71 | C7 | H72 | 117.0° | 109.5° |
| C11 | C8 | H81 | 107.8° | 109.5° |
| C11 | C8 | H82 | 108.4° | 109.5° |
| C8 | C11 | N2 | 111.4° | 109.5° |
| C8 | C11 | H111 | 108.4° | 109.5° |
| C8 | C11 | H112 | 108.8° | 109.5° |
| H81 | C8 | H82 | 111.9° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H91 | C9 | H93 | 109.4° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| N2 | C11 | H111 | 108.4° | 109.4° |
| N2 | C11 | H112 | 108.8° | 109.5° |
| C11 | N2 | HN21 | 109.5° | 106.7° |
| C11 | N2 | HN22 | 109.5° | 106.7° |
| H111 | C11 | H112 | 111.0° | 109.5° |
| HN21 | N2 | HN22 | 109.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | F41 | 179.8° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.2° | 0.3° |
| C1 | C2 | C3 | C10 | 174.8° | 180.0° |
| C2 | C1 | C6 | C5 | 2.4° | 0.0° |
| C2 | C1 | C6 | H6 | 177.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C6 | C1 | C2 | H2 | 179.1° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| F41 | C1 | C2 | C3 | 179.3° | 180.0° |
| F41 | C1 | C2 | H2 | 0.7° | 0.0° |
| F41 | C1 | C6 | C5 | 177.7° | 180.0° |
| F41 | C1 | C6 | H6 | 2.2° | 0.0° |
| C2 | C3 | C4 | C10 | 177.9° | 179.7° |
| C2 | C3 | C4 | C5 | 6.4° | 0.6° |
| C2 | C3 | C4 | F40 | 169.1° | 180.0° |
| C2 | C3 | C10 | N1 | 29.1° | 180.0° |
| C2 | C3 | C10 | C14 | 161.9° | 0.0° |
| H2 | C2 | C3 | C4 | 176.8° | 179.7° |
| H2 | C2 | C3 | C10 | 5.2° | 0.0° |
| C3 | C4 | C5 | F40 | 175.4° | 179.4° |
| C3 | C4 | C5 | C6 | 4.6° | 0.6° |
| C3 | C4 | C5 | H5 | 175.4° | 179.7° |
| C4 | C3 | C10 | N1 | 152.9° | 0.3° |
| C4 | C3 | C10 | C14 | 16.1° | 179.8° |
| C10 | C3 | C4 | C5 | 171.5° | 179.7° |
| C10 | C3 | C4 | F40 | 13.0° | 0.3° |
| C3 | C10 | N1 | C14 | 170.9° | 179.9° |
| C3 | C10 | N1 | N12 | 178.2° | 180.0° |
| C3 | C10 | C14 | C13 | 174.2° | 179.8° |
| C3 | C10 | C14 | H141 | 63.5° | 61.4° |
| C3 | C10 | C14 | H142 | 54.1° | 61.4° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | H6 | 179.7° | 179.7° |
| F40 | C4 | C5 | C6 | 170.7° | 180.0° |
| F40 | C4 | C5 | H5 | 9.2° | 0.4° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| C10 | N1 | N12 | C13 | 1.1° | 0.3° |
| C10 | N1 | N12 | C29 | 167.1° | 180.0° |
| N1 | C10 | C14 | C13 | 15.3° | 0.2° |
| N1 | C10 | C14 | H141 | 107.1° | 118.6° |
| N1 | C10 | C14 | H142 | 135.3° | 118.5° |
| C14 | C10 | N1 | N12 | 10.9° | 0.1° |
| C10 | C14 | C13 | N12 | 14.2° | 0.3° |
| C10 | C14 | C13 | H141 | 122.4° | 118.7° |
| C10 | C14 | C13 | H142 | 120.0° | 118.5° |
| C10 | C14 | C13 | C17 | 133.6° | 118.5° |
| C10 | C14 | C13 | C7 | 100.7° | 118.5° |
| C10 | C14 | H141 | H142 | 121.8° | 122.8° |
| N1 | N12 | C13 | C29 | 167.3° | 179.7° |
| N1 | N12 | C13 | C14 | 8.8° | 0.4° |
| N1 | N12 | C13 | C17 | 126.1° | 118.3° |
| N1 | N12 | C13 | C7 | 110.6° | 118.8° |
| N1 | N12 | C29 | N30 | 3.5° | 4.9° |
| N1 | N12 | C29 | O39 | 176.1° | 175.1° |
| N12 | C13 | C14 | C17 | 119.4° | 118.9° |
| N12 | C13 | C14 | C7 | 114.8° | 118.1° |
| N12 | C13 | C17 | C7 | 119.9° | 122.7° |
| N12 | C13 | C14 | H141 | 108.3° | 118.4° |
| N12 | C13 | C14 | H142 | 134.2° | 118.9° |
| N12 | C13 | C17 | C19 | 137.7° | 25.0° |
| N12 | C13 | C17 | C23 | 43.7° | 154.7° |
| C13 | N12 | C29 | N30 | 162.2° | 174.8° |
| C13 | N12 | C29 | O39 | 18.2° | 5.2° |
| N12 | C13 | C7 | C8 | 58.7° | 48.6° |
| N12 | C13 | C7 | H71 | 56.9° | 168.6° |
| N12 | C13 | C7 | H72 | 178.7° | 71.4° |
| C29 | N12 | C13 | C14 | 176.1° | 179.9° |
| C29 | N12 | C13 | C17 | 66.6° | 61.4° |
| C29 | N12 | C13 | C7 | 56.7° | 61.5° |
| N12 | C29 | N30 | O39 | 179.6° | 180.0° |
| N12 | C29 | N30 | C31 | 167.3° | 180.0° |
| N12 | C29 | N30 | HN30 | 12.6° | 0.0° |
| C14 | C13 | C17 | C7 | 126.0° | 123.0° |
| C13 | C14 | H141 | H142 | 121.8° | 122.6° |
| C14 | C13 | C17 | C19 | 108.2° | 89.3° |
| C14 | C13 | C17 | C23 | 70.4° | 91.0° |
| C14 | C13 | C7 | C8 | 54.5° | 65.3° |
| C14 | C13 | C7 | H71 | 170.1° | 54.6° |
| C14 | C13 | C7 | H72 | 65.5° | 174.6° |
| C17 | C13 | C14 | H141 | 11.2° | 122.8° |
| C17 | C13 | C14 | H142 | 106.4° | 0.0° |
| C13 | C17 | C19 | C23 | 178.6° | 179.7° |
| C13 | C17 | C19 | C20 | 174.8° | 180.0° |
| C13 | C17 | C19 | H19 | 5.2° | 0.1° |
| C13 | C17 | C23 | C22 | 175.4° | 179.7° |
| C13 | C17 | C23 | H23 | 4.5° | 0.3° |
| C17 | C13 | C7 | C8 | 178.3° | 171.7° |
| C17 | C13 | C7 | H71 | 66.1° | 68.3° |
| C17 | C13 | C7 | H72 | 58.3° | 51.7° |
| C7 | C13 | C14 | H141 | 136.9° | 0.2° |
| C7 | C13 | C14 | H142 | 19.3° | 123.0° |
| C7 | C13 | C17 | C19 | 17.8° | 147.7° |
| C7 | C13 | C17 | C23 | 163.6° | 32.0° |
| C13 | C7 | C8 | H71 | 115.6° | 119.9° |
| C13 | C7 | C8 | H72 | 120.0° | 120.1° |
| C13 | C7 | H71 | H72 | 117.4° | 120.0° |
| C13 | C7 | C8 | C11 | 111.6° | 175.3° |
| C13 | C7 | C8 | H81 | 7.1° | 55.3° |
| C13 | C7 | C8 | H82 | 128.4° | 64.7° |
| C17 | C19 | C20 | H19 | 180.0° | 179.9° |
| C17 | C19 | C20 | C21 | 1.2° | 0.1° |
| C17 | C19 | C20 | H20 | 178.8° | 179.9° |
| C19 | C17 | C23 | C22 | 3.1° | 0.6° |
| C19 | C17 | C23 | H23 | 176.9° | 180.0° |
| C23 | C17 | C19 | C20 | 3.8° | 0.3° |
| C23 | C17 | C19 | H19 | 176.2° | 179.8° |
| C17 | C23 | C22 | C21 | 0.1° | 0.5° |
| C17 | C23 | C22 | H23 | 180.0° | 179.5° |
| C17 | C23 | C22 | H22 | 179.9° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 2.2° | 0.0° |
| C19 | C20 | C21 | H21 | 177.9° | 180.0° |
| H19 | C19 | C20 | C21 | 178.8° | 180.0° |
| H19 | C19 | C20 | H20 | 1.2° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 2.8° | 0.2° |
| C20 | C21 | C22 | H22 | 177.2° | 180.0° |
| H20 | C20 | C21 | C22 | 177.8° | 180.0° |
| H20 | C20 | C21 | H21 | 2.2° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.8° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| H21 | C21 | C22 | C23 | 177.2° | 179.8° |
| H21 | C21 | C22 | H22 | 2.8° | 0.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.3° |
| C29 | N30 | C31 | HN30 | 180.0° | 180.0° |
| C29 | N30 | C31 | C9 | 169.5° | 180.0° |
| C29 | N30 | C31 | H311 | 69.5° | 60.0° |
| C29 | N30 | C31 | H312 | 49.5° | 60.0° |
| O39 | C29 | N30 | C31 | 13.1° | 0.0° |
| O39 | C29 | N30 | HN30 | 167.0° | 180.0° |
| N30 | C31 | C9 | H311 | 121.0° | 120.0° |
| N30 | C31 | C9 | H312 | 120.0° | 120.1° |
| N30 | C31 | H311 | H312 | 120.7° | 120.0° |
| N30 | C31 | C9 | H91 | 61.6° | 59.9° |
| N30 | C31 | C9 | H92 | 178.4° | 60.0° |
| N30 | C31 | C9 | H93 | 58.4° | 180.0° |
| HN30 | N30 | C31 | C9 | 10.4° | 0.0° |
| HN30 | N30 | C31 | H311 | 110.5° | 120.0° |
| HN30 | N30 | C31 | H312 | 130.4° | 120.0° |
| C9 | C31 | H311 | H312 | 120.7° | 119.9° |
| C31 | C9 | H91 | H92 | 120.0° | 119.9° |
| C31 | C9 | H91 | H93 | 120.0° | 120.0° |
| C31 | C9 | H92 | H93 | 120.1° | 120.0° |
| H311 | C31 | C9 | H91 | 59.4° | 60.1° |
| H311 | C31 | C9 | H92 | 60.6° | 180.0° |
| H311 | C31 | C9 | H93 | 179.4° | 59.9° |
| H312 | C31 | C9 | H91 | 178.4° | 180.0° |
| H312 | C31 | C9 | H92 | 58.4° | 60.1° |
| H312 | C31 | C9 | H93 | 61.6° | 60.0° |
| C8 | C7 | H71 | H72 | 117.3° | 120.0° |
| C7 | C8 | C11 | H81 | 118.7° | 119.9° |
| C7 | C8 | C11 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H82 | 119.2° | 120.0° |
| C7 | C8 | C11 | N2 | 170.6° | 180.0° |
| C7 | C8 | C11 | H111 | 51.4° | 60.1° |
| C7 | C8 | C11 | H112 | 69.4° | 60.0° |
| H71 | C7 | C8 | C11 | 132.8° | 64.8° |
| H71 | C7 | C8 | H81 | 108.5° | 175.3° |
| H71 | C7 | C8 | H82 | 12.8° | 55.2° |
| H72 | C7 | C8 | C11 | 8.4° | 55.2° |
| H72 | C7 | C8 | H81 | 127.1° | 64.8° |
| H72 | C7 | C8 | H82 | 111.6° | 175.2° |
| C11 | C8 | H81 | H82 | 119.1° | 120.0° |
| C8 | C11 | N2 | H111 | 119.2° | 120.0° |
| C8 | C11 | N2 | H112 | 120.0° | 120.0° |
| C8 | C11 | H111 | H112 | 119.5° | 120.0° |
| C8 | C11 | N2 | HN21 | 40.6° | 66.2° |
| C8 | C11 | N2 | HN22 | 79.4° | 179.9° |
| H81 | C8 | C11 | N2 | 70.7° | 60.0° |
| H81 | C8 | C11 | H111 | 170.1° | 180.0° |
| H81 | C8 | C11 | H112 | 49.3° | 60.0° |
| H82 | C8 | C11 | N2 | 50.6° | 60.0° |
| H82 | C8 | C11 | H111 | 68.6° | 60.0° |
| H82 | C8 | C11 | H112 | 170.6° | 180.0° |
| H91 | C9 | H92 | H93 | 119.9° | 120.0° |
| N2 | C11 | H111 | H112 | 119.5° | 120.0° |
| C11 | N2 | HN21 | HN22 | 120.0° | 113.8° |
| H111 | C11 | N2 | HN21 | 159.8° | 53.8° |
| H111 | C11 | N2 | HN22 | 39.8° | 60.0° |
| H112 | C11 | N2 | HN21 | 79.4° | 173.8° |
| H112 | C11 | N2 | HN22 | 160.6° | 60.0° |
