RV6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | C7 | sing | 1.53Å | 1.52Å | |
C7 | C9 | sing | 1.53Å | 1.50Å | |
C7 | N5 | sing | 1.46Å | 1.48Å | |
N5 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
N5 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C6 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
C13 | C12 | sing | 1.53Å | 1.52Å | |
C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
N3 | C3 | sing | 1.32Å | 1.35Å | Aromatic |
N4 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C12 | C10 | sing | 1.53Å | 1.54Å | |
C5 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
C3 | N6 | sing | 1.39Å | 1.33Å | |
C3 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
N6 | C10 | sing | 1.47Å | 1.46Å | |
C10 | C11 | sing | 1.53Å | 1.53Å | |
C2 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
C2 | N1 | sing | 1.38Å | 1.36Å | |
C11 | O1 | sing | 1.43Å | 1.41Å | |
N1 | C1 | sing | 1.40Å | 1.41Å | |
C14 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
C16 | C19 | sing | 1.48Å | 1.49Å | |
N7 | C19 | doub | 1.33Å | 1.35Å | Aromatic |
N7 | C23 | sing | 1.32Å | 1.34Å | Aromatic |
C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
C23 | H231 | sing | 1.08Å | 1.08Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C13 | H132 | sing | 1.09Å | 1.10Å | |
C13 | H133 | sing | 1.09Å | 1.10Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
C18 | H181 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C22 | H221 | sing | 1.08Å | 1.08Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H93 | sing | 1.09Å | 1.10Å | |
N1 | H12 | sing | 0.97Å | 1.00Å | |
N6 | H62 | sing | 0.97Å | 1.00Å | |
O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C7 | C9 | 114.0° | 109.5° |
C8 | C7 | N5 | 109.7° | 109.5° |
C8 | C7 | H71 | 107.2° | 109.4° |
C7 | C8 | H83 | 109.5° | 109.4° |
C7 | C8 | H82 | 109.5° | 109.5° |
C7 | C8 | H81 | 109.5° | 109.5° |
C9 | C7 | N5 | 110.5° | 109.5° |
C9 | C7 | H71 | 107.4° | 109.4° |
C7 | C9 | H92 | 109.5° | 109.5° |
C7 | C9 | H91 | 109.5° | 109.5° |
C7 | C9 | H93 | 109.5° | 109.5° |
C7 | N5 | C6 | 129.0° | 126.3° |
C7 | N5 | C4 | 126.0° | 126.3° |
N5 | C7 | H71 | 107.7° | 109.5° |
C6 | N5 | C4 | 105.0° | 107.4° |
N5 | C6 | N4 | 114.8° | 110.0° |
N5 | C6 | H61 | 122.6° | 125.0° |
N5 | C4 | N3 | 127.7° | 134.8° |
N5 | C4 | C5 | 106.4° | 106.0° |
C6 | N4 | C5 | 103.1° | 109.4° |
N4 | C6 | H61 | 122.6° | 125.0° |
C13 | C12 | C10 | 116.3° | 109.5° |
C12 | C13 | H132 | 109.5° | 109.4° |
C12 | C13 | H133 | 109.5° | 109.5° |
C12 | C13 | H131 | 109.5° | 109.5° |
C13 | C12 | H121 | 107.7° | 109.5° |
C13 | C12 | H122 | 107.7° | 109.4° |
N3 | C4 | C5 | 125.9° | 119.1° |
C4 | N3 | C3 | 112.5° | 120.6° |
C4 | C5 | N4 | 110.7° | 107.1° |
C4 | C5 | C2 | 117.1° | 118.3° |
N3 | C3 | N6 | 115.2° | 118.9° |
N3 | C3 | N2 | 127.2° | 122.2° |
N4 | C5 | C2 | 132.2° | 134.5° |
C12 | C10 | N6 | 108.2° | 109.4° |
C12 | C10 | C11 | 111.3° | 109.5° |
C10 | C12 | H121 | 107.8° | 109.5° |
C10 | C12 | H122 | 107.7° | 109.5° |
C12 | C10 | H101 | 107.5° | 109.4° |
C5 | C2 | N2 | 118.4° | 118.5° |
C5 | C2 | N1 | 118.9° | 120.8° |
N6 | C3 | N2 | 117.4° | 118.9° |
C3 | N6 | C10 | 125.5° | 120.0° |
C3 | N6 | H62 | 105.3° | 120.0° |
C3 | N2 | C2 | 118.7° | 121.2° |
N6 | C10 | C11 | 113.4° | 109.5° |
N6 | C10 | H101 | 108.5° | 109.5° |
C10 | N6 | H62 | 105.3° | 120.0° |
C10 | C11 | O1 | 110.3° | 109.5° |
C10 | C11 | H112 | 109.3° | 109.5° |
C10 | C11 | H111 | 109.3° | 109.4° |
C11 | C10 | H101 | 107.7° | 109.5° |
N2 | C2 | N1 | 122.7° | 120.7° |
C2 | N1 | C1 | 130.0° | 120.0° |
C2 | N1 | H12 | 115.0° | 120.0° |
O1 | C11 | H112 | 109.3° | 109.5° |
O1 | C11 | H111 | 109.2° | 109.4° |
C11 | O1 | H11 | 109.5° | 114.1° |
N1 | C1 | C14 | 115.1° | 119.9° |
N1 | C1 | C18 | 125.6° | 120.0° |
C1 | N1 | H12 | 115.0° | 120.0° |
C1 | C14 | C15 | 120.0° | 120.0° |
C14 | C1 | C18 | 119.3° | 120.1° |
C1 | C14 | H141 | 120.0° | 120.0° |
C14 | C15 | C16 | 121.6° | 120.0° |
C14 | C15 | H151 | 119.2° | 120.0° |
C15 | C14 | H141 | 120.0° | 120.0° |
C1 | C18 | C17 | 119.9° | 120.0° |
C1 | C18 | H181 | 120.1° | 120.0° |
C15 | C16 | C17 | 117.9° | 119.9° |
C15 | C16 | C19 | 120.2° | 120.0° |
C16 | C15 | H151 | 119.2° | 120.1° |
C18 | C17 | C16 | 121.4° | 119.9° |
C18 | C17 | H171 | 119.3° | 120.0° |
C17 | C18 | H181 | 120.1° | 120.0° |
C17 | C16 | C19 | 121.9° | 120.0° |
C16 | C17 | H171 | 119.3° | 120.0° |
C16 | C19 | N7 | 115.9° | 119.7° |
C16 | C19 | C20 | 122.6° | 119.8° |
C19 | N7 | C23 | 118.0° | 121.6° |
N7 | C19 | C20 | 121.4° | 120.5° |
N7 | C23 | C22 | 123.4° | 120.9° |
N7 | C23 | H231 | 118.3° | 119.6° |
C19 | C20 | C21 | 119.6° | 119.1° |
C19 | C20 | H201 | 120.2° | 120.4° |
C23 | C22 | C21 | 118.5° | 119.3° |
C22 | C23 | H231 | 118.3° | 119.5° |
C23 | C22 | H221 | 120.8° | 120.3° |
C20 | C21 | C22 | 119.1° | 118.6° |
C21 | C20 | H201 | 120.2° | 120.5° |
C20 | C21 | H211 | 120.4° | 120.8° |
C22 | C21 | H211 | 120.5° | 120.7° |
C21 | C22 | H221 | 120.7° | 120.4° |
H112 | C11 | H111 | 109.5° | 109.4° |
H132 | C13 | H133 | 109.5° | 109.4° |
H132 | C13 | H131 | 109.5° | 109.5° |
H133 | C13 | H131 | 109.5° | 109.5° |
H121 | C12 | H122 | 109.5° | 109.4° |
H83 | C8 | H82 | 109.4° | 109.4° |
H83 | C8 | H81 | 109.4° | 109.5° |
H82 | C8 | H81 | 109.5° | 109.5° |
H92 | C9 | H91 | 109.4° | 109.4° |
H92 | C9 | H93 | 109.5° | 109.5° |
H91 | C9 | H93 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C7 | C9 | N5 | 124.1° | 120.0° |
C8 | C7 | C9 | H71 | 118.6° | 119.9° |
C8 | C7 | N5 | H71 | 116.4° | 120.0° |
C8 | C7 | N5 | C6 | 103.6° | 60.0° |
C8 | C7 | N5 | C4 | 74.5° | 120.4° |
C7 | C8 | H83 | H82 | 120.0° | 120.0° |
C7 | C8 | H83 | H81 | 120.0° | 120.0° |
C7 | C8 | H82 | H81 | 120.0° | 120.1° |
C8 | C7 | C9 | H92 | 180.0° | 180.0° |
C8 | C7 | C9 | H91 | 60.0° | 60.0° |
C8 | C7 | C9 | H93 | 60.0° | 60.0° |
C9 | C7 | N5 | H71 | 117.1° | 120.0° |
C9 | C7 | N5 | C6 | 129.9° | 60.0° |
C9 | C7 | N5 | C4 | 52.0° | 119.5° |
C9 | C7 | C8 | H83 | 180.0° | 60.0° |
C9 | C7 | C8 | H82 | 60.0° | 59.9° |
C9 | C7 | C8 | H81 | 60.0° | 180.0° |
C7 | C9 | H92 | H91 | 120.0° | 120.0° |
C7 | C9 | H92 | H93 | 120.0° | 120.0° |
C7 | C9 | H91 | H93 | 120.0° | 120.0° |
C7 | N5 | C6 | C4 | 178.4° | 179.6° |
C7 | N5 | C6 | N4 | 179.2° | 180.0° |
C7 | N5 | C4 | N3 | 0.8° | 0.3° |
C7 | N5 | C4 | C5 | 179.0° | 180.0° |
C7 | N5 | C6 | H61 | 0.8° | 0.2° |
N5 | C7 | C8 | H83 | 55.4° | 60.0° |
N5 | C7 | C8 | H82 | 175.4° | 180.0° |
N5 | C7 | C8 | H81 | 64.6° | 60.0° |
N5 | C7 | C9 | H92 | 55.9° | 60.0° |
N5 | C7 | C9 | H91 | 64.1° | 180.0° |
N5 | C7 | C9 | H93 | 175.9° | 60.0° |
N5 | C6 | N4 | H61 | 180.0° | 179.8° |
C6 | N5 | C4 | N3 | 179.3° | 180.0° |
C6 | N5 | C4 | C5 | 0.5° | 0.3° |
N5 | C6 | N4 | C5 | 0.7° | 0.2° |
C6 | N5 | C7 | H71 | 12.8° | 180.0° |
C4 | N5 | C6 | N4 | 0.8° | 0.3° |
N5 | C4 | N3 | C5 | 179.7° | 179.7° |
N5 | C4 | N3 | C3 | 178.4° | 179.6° |
N5 | C4 | C5 | N4 | 0.1° | 0.2° |
N5 | C4 | C5 | C2 | 178.5° | 179.7° |
C4 | N5 | C6 | H61 | 179.2° | 179.8° |
C4 | N5 | C7 | H71 | 169.1° | 0.4° |
C6 | N4 | C5 | C4 | 0.3° | 0.0° |
C6 | N4 | C5 | C2 | 178.7° | 179.9° |
C13 | C12 | C10 | H121 | 121.0° | 120.0° |
C13 | C12 | C10 | H122 | 121.0° | 120.0° |
C13 | C12 | C10 | N6 | 68.3° | 65.0° |
C13 | C12 | C10 | C11 | 166.5° | 175.0° |
C12 | C13 | H132 | H133 | 120.0° | 120.0° |
C12 | C13 | H132 | H131 | 120.0° | 120.0° |
C12 | C13 | H133 | H131 | 120.0° | 120.0° |
C13 | C12 | H121 | H122 | 116.9° | 120.0° |
C13 | C12 | C10 | H101 | 48.7° | 55.0° |
N3 | C4 | C5 | N4 | 179.7° | 180.0° |
N3 | C4 | C5 | C2 | 1.7° | 0.0° |
C4 | N3 | C3 | N6 | 179.1° | 180.0° |
C4 | N3 | C3 | N2 | 3.6° | 0.0° |
C5 | C4 | N3 | C3 | 1.8° | 0.0° |
C4 | C5 | N4 | C2 | 178.3° | 179.9° |
C4 | C5 | C2 | N2 | 3.0° | 0.1° |
C4 | C5 | C2 | N1 | 179.9° | 180.0° |
N3 | C3 | N6 | N2 | 175.9° | 180.0° |
N3 | C3 | N6 | C10 | 116.2° | 180.0° |
N3 | C3 | N2 | C2 | 5.2° | 0.1° |
N3 | C3 | N6 | H62 | 5.9° | 0.0° |
N4 | C5 | C2 | N2 | 178.7° | 180.0° |
N4 | C5 | C2 | N1 | 1.9° | 0.1° |
C5 | N4 | C6 | H61 | 179.3° | 180.0° |
C12 | C10 | N6 | C3 | 60.1° | 155.0° |
C12 | C10 | N6 | C11 | 123.9° | 120.0° |
C12 | C10 | N6 | H101 | 116.4° | 120.0° |
C12 | C10 | C11 | H101 | 117.6° | 120.0° |
C12 | C10 | C11 | O1 | 179.1° | 55.0° |
C12 | C10 | C11 | H112 | 60.8° | 65.0° |
C12 | C10 | C11 | H111 | 59.0° | 175.0° |
C10 | C12 | C13 | H132 | 180.0° | 60.0° |
C10 | C12 | C13 | H133 | 60.0° | 60.0° |
C10 | C12 | C13 | H131 | 60.0° | 180.0° |
C10 | C12 | H121 | H122 | 116.9° | 120.0° |
C12 | C10 | N6 | H62 | 62.1° | 25.0° |
C5 | C2 | N2 | C3 | 4.6° | 0.1° |
C5 | C2 | N2 | N1 | 176.7° | 179.9° |
C5 | C2 | N1 | C1 | 101.1° | 174.2° |
C5 | C2 | N1 | H12 | 78.9° | 5.7° |
C3 | N6 | C10 | H62 | 122.1° | 180.0° |
C3 | N6 | C10 | C11 | 63.9° | 85.0° |
N6 | C3 | N2 | C2 | 179.4° | 180.0° |
C3 | N6 | C10 | H101 | 176.5° | 35.0° |
N2 | C3 | N6 | C10 | 59.7° | 0.0° |
C3 | N2 | C2 | N1 | 178.7° | 180.0° |
N2 | C3 | N6 | H62 | 178.2° | 180.0° |
N6 | C10 | C11 | H101 | 120.1° | 120.1° |
N6 | C10 | C11 | O1 | 58.7° | 64.9° |
N6 | C10 | C11 | H112 | 61.4° | 175.0° |
N6 | C10 | C11 | H111 | 178.8° | 55.1° |
N6 | C10 | C12 | H121 | 52.7° | 55.0° |
N6 | C10 | C12 | H122 | 170.7° | 175.0° |
C10 | C11 | O1 | H112 | 120.2° | 120.1° |
C10 | C11 | O1 | H111 | 120.1° | 120.0° |
C10 | C11 | H112 | H111 | 119.6° | 120.0° |
C11 | C10 | C12 | H121 | 72.5° | 65.0° |
C11 | C10 | C12 | H122 | 45.5° | 55.0° |
C11 | C10 | N6 | H62 | 174.0° | 95.0° |
C10 | C11 | O1 | H11 | 180.0° | 180.0° |
N2 | C2 | N1 | C1 | 82.2° | 5.7° |
N2 | C2 | N1 | H12 | 97.8° | 174.3° |
C2 | N1 | C1 | H12 | 180.0° | 180.0° |
C2 | N1 | C1 | C14 | 101.2° | 37.5° |
C2 | N1 | C1 | C18 | 79.8° | 143.0° |
O1 | C11 | H112 | H111 | 119.6° | 119.9° |
O1 | C11 | C10 | H101 | 61.4° | 175.0° |
N1 | C1 | C14 | C18 | 179.1° | 179.5° |
N1 | C1 | C14 | C15 | 179.7° | 179.8° |
N1 | C1 | C18 | C17 | 179.6° | 180.0° |
N1 | C1 | C14 | H141 | 0.3° | 0.2° |
N1 | C1 | C18 | H181 | 0.3° | 0.5° |
C1 | C14 | C15 | H141 | 180.0° | 180.0° |
C1 | C14 | C15 | C16 | 0.3° | 0.0° |
C14 | C1 | C18 | C17 | 0.7° | 0.5° |
C1 | C14 | C15 | H151 | 179.8° | 179.9° |
C14 | C1 | C18 | H181 | 179.3° | 180.0° |
C14 | C1 | N1 | H12 | 78.8° | 142.4° |
C15 | C14 | C1 | C18 | 0.6° | 0.3° |
C14 | C15 | C16 | H151 | 180.0° | 179.9° |
C14 | C15 | C16 | C17 | 0.0° | 0.0° |
C14 | C15 | C16 | C19 | 179.6° | 179.7° |
C1 | C18 | C17 | H181 | 180.0° | 179.5° |
C1 | C18 | C17 | C16 | 0.4° | 0.4° |
C18 | C1 | C14 | H141 | 179.4° | 179.7° |
C1 | C18 | C17 | H171 | 179.6° | 179.4° |
C18 | C1 | N1 | H12 | 100.2° | 37.1° |
C15 | C16 | C17 | C18 | 0.0° | 0.2° |
C15 | C16 | C17 | C19 | 179.7° | 179.8° |
C15 | C16 | C19 | N7 | 24.0° | 179.7° |
C15 | C16 | C19 | C20 | 155.5° | 0.3° |
C16 | C15 | C14 | H141 | 179.7° | 180.0° |
C15 | C16 | C17 | H171 | 180.0° | 179.6° |
C18 | C17 | C16 | H171 | 180.0° | 179.8° |
C18 | C17 | C16 | C19 | 179.7° | 180.0° |
C17 | C16 | C19 | N7 | 156.4° | 0.0° |
C17 | C16 | C19 | C20 | 24.2° | 180.0° |
C17 | C16 | C15 | H151 | 179.9° | 179.9° |
C16 | C17 | C18 | H181 | 179.6° | 180.0° |
C16 | C19 | N7 | C20 | 179.5° | 180.0° |
C16 | C19 | N7 | C23 | 179.6° | 180.0° |
C16 | C19 | C20 | C21 | 179.4° | 179.7° |
C19 | C16 | C15 | H151 | 0.4° | 0.3° |
C19 | C16 | C17 | H171 | 0.3° | 0.1° |
C16 | C19 | C20 | H201 | 0.6° | 0.0° |
C19 | N7 | C23 | C22 | 0.2° | 0.0° |
N7 | C19 | C20 | C21 | 0.0° | 0.3° |
C19 | N7 | C23 | H231 | 179.8° | 179.7° |
N7 | C19 | C20 | H201 | 179.9° | 180.0° |
C23 | N7 | C19 | C20 | 0.1° | 0.0° |
N7 | C23 | C22 | H231 | 180.0° | 179.7° |
N7 | C23 | C22 | C21 | 0.2° | 0.3° |
N7 | C23 | C22 | H221 | 179.8° | 179.8° |
C19 | C20 | C21 | H201 | 180.0° | 179.8° |
C19 | C20 | C21 | C22 | 0.1° | 0.5° |
C19 | C20 | C21 | H211 | 179.9° | 180.0° |
C23 | C22 | C21 | C20 | 0.0° | 0.5° |
C23 | C22 | C21 | H221 | 180.0° | 180.0° |
C23 | C22 | C21 | H211 | 180.0° | 180.0° |
C20 | C21 | C22 | H211 | 180.0° | 179.4° |
C20 | C21 | C22 | H221 | 180.0° | 179.5° |
C21 | C22 | C23 | H231 | 179.8° | 180.0° |
C22 | C21 | C20 | H201 | 179.9° | 179.7° |
H231 | C23 | C22 | H221 | 0.2° | 0.0° |
H112 | C11 | C10 | H101 | 178.4° | 54.9° |
H112 | C11 | O1 | H11 | 59.8° | 59.9° |
H111 | C11 | C10 | H101 | 58.7° | 65.0° |
H111 | C11 | O1 | H11 | 59.9° | 60.0° |
H151 | C15 | C14 | H141 | 0.2° | 0.1° |
H132 | C13 | H133 | H131 | 120.0° | 120.0° |
H132 | C13 | C12 | H121 | 59.0° | 60.0° |
H132 | C13 | C12 | H122 | 59.0° | NaN° |
H133 | C13 | C12 | H121 | 61.0° | 180.0° |
H133 | C13 | C12 | H122 | 179.0° | 60.1° |
H131 | C13 | C12 | H121 | 179.0° | 60.0° |
H131 | C13 | C12 | H122 | 61.0° | 60.0° |
H121 | C12 | C10 | H101 | 169.7° | 175.0° |
H122 | C12 | C10 | H101 | 72.2° | 65.0° |
H101 | C10 | N6 | H62 | 54.4° | 144.9° |
H171 | C17 | C18 | H181 | 0.4° | 0.1° |
H201 | C20 | C21 | H211 | 0.1° | 0.3° |
H211 | C21 | C22 | H221 | 0.0° | 0.1° |
H71 | C7 | C8 | H83 | 61.3° | 180.0° |
H71 | C7 | C8 | H82 | 58.7° | 60.0° |
H71 | C7 | C8 | H81 | 178.7° | 60.0° |
H71 | C7 | C9 | H92 | 61.4° | 60.1° |
H71 | C7 | C9 | H91 | 178.7° | 59.9° |
H71 | C7 | C9 | H93 | 58.7° | 179.9° |
H83 | C8 | H82 | H81 | 119.9° | 120.0° |
H92 | C9 | H91 | H93 | 120.0° | 119.9° |