RVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C16 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | N3 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C3 | doub | 1.31Å | 1.31Å | Aromatic |
| N3 | C3 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | N1 | sing | 1.38Å | 1.37Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O3 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C4 | sing | 1.54Å | 1.50Å | |
| C1 | C6 | sing | 1.55Å | 1.54Å | |
| C4 | N2 | sing | 1.47Å | 1.45Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| N2 | C5 | sing | 1.34Å | 1.36Å | |
| N2 | C7 | sing | 1.40Å | 1.41Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| O2 | C14 | sing | 1.43Å | 1.43Å | |
| O2 | C8 | sing | 1.36Å | 1.36Å | |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| C9 | H91 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 121.5° | 120.5° |
| C19 | C20 | C16 | 117.8° | 119.8° |
| C20 | C19 | H191 | 119.2° | 119.8° |
| C19 | C20 | H201 | 121.1° | 120.1° |
| C19 | C18 | C17 | 121.6° | 120.5° |
| C19 | C18 | H181 | 119.2° | 119.8° |
| C18 | C19 | H191 | 119.3° | 119.8° |
| C20 | C16 | C15 | 119.8° | 119.4° |
| C20 | C16 | N4 | 130.1° | 133.5° |
| C16 | C20 | H201 | 121.1° | 120.1° |
| C18 | C17 | C15 | 116.7° | 119.9° |
| C18 | C17 | H171 | 121.7° | 120.1° |
| C17 | C18 | H181 | 119.2° | 119.8° |
| C15 | C16 | N4 | 110.1° | 107.1° |
| C16 | C15 | C17 | 122.6° | 119.9° |
| C16 | C15 | N3 | 105.2° | 106.1° |
| C16 | N4 | C3 | 104.3° | 109.6° |
| C17 | C15 | N3 | 132.2° | 133.9° |
| C15 | C17 | H171 | 121.6° | 120.0° |
| C15 | N3 | C3 | 106.6° | 107.2° |
| C15 | N3 | H31 | 126.7° | 126.4° |
| N4 | C3 | N3 | 113.8° | 109.9° |
| N4 | C3 | N1 | 120.8° | 125.0° |
| N3 | C3 | N1 | 125.4° | 125.0° |
| C3 | N3 | H31 | 126.7° | 126.4° |
| C3 | N1 | C2 | 126.9° | 120.0° |
| C3 | N1 | H12 | 116.5° | 120.0° |
| N1 | C2 | O3 | 122.1° | 120.0° |
| N1 | C2 | C1 | 115.9° | 120.0° |
| C2 | N1 | H12 | 116.5° | 119.9° |
| O3 | C2 | C1 | 122.0° | 120.0° |
| C2 | C1 | C4 | 115.1° | 111.0° |
| C2 | C1 | C6 | 110.0° | 111.0° |
| C2 | C1 | H11 | 108.4° | 110.9° |
| C4 | C1 | C6 | 106.8° | 101.8° |
| C1 | C4 | N2 | 104.1° | 105.5° |
| C4 | C1 | H11 | 108.4° | 111.0° |
| C1 | C4 | H41 | 110.8° | 110.3° |
| C1 | C4 | H42 | 110.8° | 110.2° |
| C1 | C6 | C5 | 104.9° | 104.2° |
| C6 | C1 | H11 | 107.9° | 110.9° |
| C1 | C6 | H62 | 110.6° | 110.5° |
| C1 | C6 | H61 | 110.6° | 110.5° |
| C4 | N2 | C5 | 114.8° | 111.3° |
| C4 | N2 | C7 | 119.1° | 124.4° |
| N2 | C4 | H41 | 110.8° | 110.3° |
| N2 | C4 | H42 | 110.8° | 110.2° |
| C6 | C5 | N2 | 106.8° | 110.1° |
| C6 | C5 | O1 | 128.4° | 125.0° |
| C5 | C6 | H62 | 110.6° | 110.5° |
| C5 | C6 | H61 | 110.6° | 110.5° |
| C5 | N2 | C7 | 126.0° | 124.4° |
| N2 | C5 | O1 | 124.8° | 124.9° |
| N2 | C7 | C12 | 119.4° | 120.1° |
| N2 | C7 | C8 | 120.7° | 120.0° |
| C14 | O2 | C8 | 118.3° | 117.0° |
| O2 | C14 | H141 | 109.5° | 109.4° |
| O2 | C14 | H142 | 109.5° | 109.5° |
| O2 | C14 | H143 | 109.4° | 109.4° |
| O2 | C8 | C7 | 115.9° | 120.1° |
| O2 | C8 | C9 | 125.3° | 120.1° |
| C12 | C7 | C8 | 119.9° | 119.8° |
| C7 | C12 | C11 | 121.4° | 120.0° |
| C7 | C12 | H121 | 119.3° | 120.0° |
| C7 | C8 | C9 | 118.8° | 119.8° |
| C12 | C11 | C10 | 117.7° | 120.2° |
| C12 | C11 | C13 | 121.0° | 119.9° |
| C11 | C12 | H121 | 119.3° | 120.1° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C8 | C9 | H91 | 119.9° | 120.0° |
| C9 | C10 | C11 | 121.9° | 120.2° |
| C10 | C9 | H91 | 119.9° | 120.0° |
| C9 | C10 | H101 | 119.0° | 119.9° |
| C10 | C11 | C13 | 121.3° | 120.0° |
| C11 | C10 | H101 | 119.1° | 119.9° |
| C11 | C13 | H131 | 109.5° | 109.5° |
| C11 | C13 | H133 | 109.5° | 109.5° |
| C11 | C13 | H132 | 109.5° | 109.4° |
| H41 | C4 | H42 | 109.5° | 110.3° |
| H62 | C6 | H61 | 109.5° | 110.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H133 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H191 | 180.0° | 179.8° |
| C19 | C20 | C16 | H201 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 0.1° | 0.2° |
| C19 | C20 | C16 | C15 | 0.0° | 0.0° |
| C19 | C20 | C16 | N4 | 179.8° | 179.9° |
| C20 | C19 | C18 | H181 | 179.9° | 179.8° |
| C18 | C19 | C20 | C16 | 0.0° | 0.2° |
| C19 | C18 | C17 | H181 | 180.0° | 179.9° |
| C19 | C18 | C17 | C15 | 0.1° | 0.0° |
| C19 | C18 | C17 | H171 | 179.9° | 180.0° |
| C18 | C19 | C20 | H201 | 180.0° | 180.0° |
| C20 | C16 | C15 | N4 | 179.9° | 179.9° |
| C20 | C16 | C15 | C17 | 0.1° | 0.2° |
| C20 | C16 | C15 | N3 | 179.9° | 180.0° |
| C20 | C16 | N4 | C3 | 179.7° | 179.8° |
| C16 | C20 | C19 | H191 | 180.0° | 180.0° |
| C18 | C17 | C15 | C16 | 0.1° | 0.3° |
| C18 | C17 | C15 | H171 | 180.0° | 180.0° |
| C18 | C17 | C15 | N3 | 179.8° | 179.9° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| C16 | C15 | C17 | N3 | 180.0° | 179.7° |
| C15 | C16 | N4 | C3 | 0.1° | 0.1° |
| C16 | C15 | N3 | C3 | 0.2° | 0.2° |
| C16 | C15 | C17 | H171 | 179.9° | 179.8° |
| C15 | C16 | C20 | H201 | 180.0° | 179.8° |
| C16 | C15 | N3 | H31 | 179.8° | 179.9° |
| N4 | C16 | C15 | C17 | 179.9° | 179.8° |
| N4 | C16 | C15 | N3 | 0.0° | 0.1° |
| C16 | N4 | C3 | N3 | 0.2° | 0.2° |
| C16 | N4 | C3 | N1 | 179.7° | 180.0° |
| N4 | C16 | C20 | H201 | 0.2° | 0.1° |
| C17 | C15 | N3 | C3 | 179.8° | 179.9° |
| C15 | C17 | C18 | H181 | 179.9° | 179.9° |
| C17 | C15 | N3 | H31 | 0.2° | 0.1° |
| C15 | N3 | C3 | N4 | 0.2° | 0.2° |
| C15 | N3 | C3 | H31 | 180.0° | 179.9° |
| C15 | N3 | C3 | N1 | 179.7° | 179.9° |
| N3 | C15 | C17 | H171 | 0.2° | 0.1° |
| N4 | C3 | N3 | N1 | 179.4° | 179.8° |
| N4 | C3 | N1 | C2 | 156.4° | 179.7° |
| N4 | C3 | N1 | H12 | 23.6° | 0.3° |
| N4 | C3 | N3 | H31 | 179.7° | 179.8° |
| N3 | C3 | N1 | C2 | 23.0° | 0.1° |
| N3 | C3 | N1 | H12 | 157.0° | 180.0° |
| C3 | N1 | C2 | H12 | 180.0° | 180.0° |
| C3 | N1 | C2 | O3 | 0.1° | 0.0° |
| C3 | N1 | C2 | C1 | 179.6° | 180.0° |
| N1 | C3 | N3 | H31 | 0.3° | 0.0° |
| N1 | C2 | O3 | C1 | 179.5° | 180.0° |
| N1 | C2 | C1 | C4 | 82.8° | 180.0° |
| N1 | C2 | C1 | C6 | 156.5° | 67.6° |
| N1 | C2 | C1 | H11 | 38.8° | 56.1° |
| O3 | C2 | C1 | C4 | 97.7° | 0.0° |
| O3 | C2 | C1 | C6 | 23.0° | 112.4° |
| O3 | C2 | C1 | H11 | 140.7° | 123.8° |
| O3 | C2 | N1 | H12 | 179.9° | 180.0° |
| C2 | C1 | C4 | C6 | 122.4° | 118.1° |
| C2 | C1 | C4 | H11 | 121.5° | 123.8° |
| C2 | C1 | C6 | H11 | 118.0° | 123.7° |
| C2 | C1 | C4 | N2 | 119.5° | 92.7° |
| C2 | C1 | C6 | C5 | 131.9° | 93.3° |
| C2 | C1 | C4 | H41 | 0.4° | 26.3° |
| C2 | C1 | C4 | H42 | 121.4° | 148.3° |
| C2 | C1 | C6 | H62 | 108.9° | 148.0° |
| C2 | C1 | C6 | H61 | 12.6° | 25.3° |
| C1 | C2 | N1 | H12 | 0.4° | 0.0° |
| C4 | C1 | C6 | H11 | 116.4° | 118.1° |
| C1 | C4 | N2 | H41 | 119.1° | 119.0° |
| C1 | C4 | N2 | H42 | 119.2° | 119.0° |
| C4 | C1 | C6 | C5 | 6.3° | 24.8° |
| C1 | C4 | N2 | C5 | 12.8° | 17.1° |
| C1 | C4 | N2 | C7 | 163.2° | 163.0° |
| C1 | C4 | H41 | H42 | 122.5° | 122.0° |
| C4 | C1 | C6 | H62 | 125.6° | 93.8° |
| C4 | C1 | C6 | H61 | 113.0° | 143.5° |
| C6 | C1 | C4 | N2 | 2.9° | 25.5° |
| C1 | C6 | C5 | H62 | 119.3° | 118.7° |
| C1 | C6 | C5 | H61 | 119.3° | 118.7° |
| C1 | C6 | C5 | N2 | 13.8° | 16.2° |
| C1 | C6 | C5 | O1 | 167.1° | 163.8° |
| C6 | C1 | C4 | H41 | 122.0° | 144.5° |
| C6 | C1 | C4 | H42 | 116.2° | 93.5° |
| C1 | C6 | H62 | H61 | 122.1° | 122.7° |
| C4 | N2 | C5 | C6 | 17.2° | 0.5° |
| C4 | N2 | C5 | C7 | 175.7° | 179.9° |
| C4 | N2 | C5 | O1 | 163.7° | 179.5° |
| C4 | N2 | C7 | C12 | 110.2° | 89.9° |
| C4 | N2 | C7 | C8 | 70.8° | 90.1° |
| N2 | C4 | C1 | H11 | 119.0° | 143.5° |
| N2 | C4 | H41 | H42 | 122.5° | 122.0° |
| C6 | C5 | N2 | O1 | 179.1° | 180.0° |
| C6 | C5 | N2 | C7 | 158.5° | 179.6° |
| C5 | C6 | C1 | H11 | 110.1° | 142.9° |
| C5 | C6 | H62 | H61 | 122.1° | 122.6° |
| C5 | N2 | C7 | C12 | 65.3° | 90.0° |
| C5 | N2 | C7 | C8 | 113.7° | 90.1° |
| C5 | N2 | C4 | H41 | 131.9° | 136.1° |
| C5 | N2 | C4 | H42 | 106.4° | 101.9° |
| N2 | C5 | C6 | H62 | 133.0° | 102.5° |
| N2 | C5 | C6 | H61 | 105.5° | 134.9° |
| C7 | N2 | C5 | O1 | 20.6° | 0.4° |
| N2 | C7 | C8 | O2 | 1.1° | 0.3° |
| N2 | C7 | C12 | C8 | 179.0° | 180.0° |
| N2 | C7 | C12 | C11 | 179.0° | 180.0° |
| N2 | C7 | C8 | C9 | 179.5° | 180.0° |
| C7 | N2 | C4 | H41 | 44.1° | 44.0° |
| C7 | N2 | C4 | H42 | 77.6° | 78.0° |
| N2 | C7 | C12 | H121 | 1.0° | 0.1° |
| O1 | C5 | C6 | H62 | 47.9° | 77.5° |
| O1 | C5 | C6 | H61 | 73.6° | 45.1° |
| C14 | O2 | C8 | C7 | 171.9° | 179.7° |
| C14 | O2 | C8 | C9 | 7.5° | 0.1° |
| O2 | C14 | H141 | H142 | 120.0° | 120.0° |
| O2 | C14 | H141 | H143 | 120.0° | 119.9° |
| O2 | C14 | H142 | H143 | 120.0° | 120.0° |
| O2 | C8 | C7 | C12 | 179.9° | 179.7° |
| O2 | C8 | C7 | C9 | 179.4° | 179.7° |
| O2 | C8 | C9 | C10 | 179.8° | 179.7° |
| O2 | C8 | C9 | H91 | 0.2° | 0.4° |
| C8 | O2 | C14 | H141 | 180.0° | 180.0° |
| C8 | O2 | C14 | H142 | 60.0° | 60.0° |
| C8 | O2 | C14 | H143 | 60.0° | 60.0° |
| C7 | C12 | C11 | H121 | 180.0° | 180.0° |
| C12 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C12 | C11 | C10 | 0.5° | 0.0° |
| C7 | C12 | C11 | C13 | 179.3° | 180.0° |
| C8 | C7 | C12 | C11 | 0.0° | 0.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H91 | 179.6° | 180.0° |
| C8 | C7 | C12 | H121 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C12 | C11 | C10 | C13 | 178.8° | 180.0° |
| C12 | C11 | C10 | H101 | 179.4° | 180.0° |
| C12 | C11 | C13 | H131 | 89.3° | 90.0° |
| C12 | C11 | C13 | H133 | 150.6° | 30.0° |
| C12 | C11 | C13 | H132 | 30.6° | 150.0° |
| C8 | C9 | C10 | H91 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H101 | 179.8° | 180.0° |
| C9 | C10 | C11 | H101 | 180.0° | 180.0° |
| C9 | C10 | C11 | C13 | 179.4° | 180.0° |
| C11 | C10 | C9 | H91 | 179.9° | 180.0° |
| C10 | C11 | C12 | H121 | 179.5° | 180.0° |
| C10 | C11 | C13 | H131 | 89.4° | 90.0° |
| C10 | C11 | C13 | H133 | 30.7° | 150.0° |
| C10 | C11 | C13 | H132 | 150.7° | 30.0° |
| C13 | C11 | C10 | H101 | 0.6° | 0.0° |
| C13 | C11 | C12 | H121 | 0.7° | 0.1° |
| C11 | C13 | H131 | H133 | 120.0° | 120.0° |
| C11 | C13 | H131 | H132 | 120.0° | 120.0° |
| C11 | C13 | H133 | H132 | 120.0° | 120.0° |
| H91 | C9 | C10 | H101 | 0.2° | 0.0° |
| H11 | C1 | C4 | H41 | 121.9° | 97.5° |
| H11 | C1 | C4 | H42 | 0.2° | 24.5° |
| H11 | C1 | C6 | H62 | 9.1° | 24.3° |
| H11 | C1 | C6 | H61 | 130.6° | 98.4° |
| H131 | C13 | H133 | H132 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H171 | C17 | C18 | H181 | 0.1° | 0.0° |
| H181 | C18 | C19 | H191 | 0.1° | 0.1° |
| H191 | C19 | C20 | H201 | 0.0° | 0.2° |
