RN5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C25 | doub | 1.21Å | 1.21Å | |
C26 | C25 | sing | 1.51Å | 1.50Å | |
C25 | N1 | sing | 1.35Å | 1.37Å | |
C | C1 | sing | 1.53Å | 1.53Å | |
N1 | C1 | sing | 1.47Å | 1.47Å | |
N1 | C13 | sing | 1.40Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C3 | C12 | sing | 1.51Å | 1.51Å | |
C3 | N | sing | 1.46Å | 1.45Å | |
C12 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
S | C6 | sing | 1.76Å | 1.74Å | Aromatic |
S | C9 | sing | 1.75Å | 1.72Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
N | C4 | sing | 1.40Å | 1.37Å | |
C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
C16 | C18 | sing | 1.48Å | 1.48Å | |
C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C4 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
C9 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
C7 | C8 | sing | 1.46Å | 1.43Å | Aromatic |
C7 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
C11 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
C18 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
C22 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
C21 | C24 | sing | 1.48Å | 1.50Å | |
C24 | O1 | doub | 1.21Å | 1.25Å | |
C24 | O | sing | 1.35Å | 1.25Å | |
C8 | H9 | sing | 1.08Å | 1.08Å | |
C9 | H10 | sing | 1.08Å | 1.08Å | |
C1 | H | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.08Å | 1.08Å | |
C3 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
N | H7 | sing | 0.97Å | 1.00Å | |
C | H3 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H4 | sing | 1.09Å | 1.10Å | |
O | H23 | sing | 0.97Å | 0.95Å | |
C10 | H11 | sing | 1.08Å | 1.08Å | |
C11 | H12 | sing | 1.08Å | 1.08Å | |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C15 | H14 | sing | 1.08Å | 1.08Å | |
C17 | H15 | sing | 1.08Å | 1.08Å | |
C19 | H16 | sing | 1.08Å | 1.08Å | |
C20 | H17 | sing | 1.08Å | 1.08Å | |
C22 | H18 | sing | 1.08Å | 1.08Å | |
C23 | H19 | sing | 1.08Å | 1.08Å | |
C26 | H22 | sing | 1.09Å | 1.10Å | |
C26 | H20 | sing | 1.09Å | 1.10Å | |
C26 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C25 | C26 | 122.5° | 120.0° |
O2 | C25 | N1 | 120.1° | 120.0° |
C26 | C25 | N1 | 117.4° | 120.0° |
C25 | C26 | H22 | 109.5° | 109.5° |
C25 | C26 | H20 | 109.5° | 109.4° |
C25 | C26 | H21 | 109.5° | 109.4° |
C25 | N1 | C1 | 116.8° | 120.6° |
C25 | N1 | C13 | 125.7° | 120.5° |
C | C1 | N1 | 109.8° | 109.8° |
C | C1 | C2 | 114.1° | 109.8° |
C | C1 | H | 107.3° | 109.8° |
C1 | C | H3 | 109.5° | 109.5° |
C1 | C | H2 | 109.5° | 109.4° |
C1 | C | H4 | 109.4° | 109.5° |
C1 | N1 | C13 | 117.5° | 118.9° |
N1 | C1 | C2 | 110.0° | 107.8° |
N1 | C1 | H | 108.0° | 109.8° |
N1 | C13 | C14 | 122.5° | 119.0° |
N1 | C13 | C12 | 117.4° | 120.8° |
C1 | C2 | C3 | 113.9° | 108.8° |
C2 | C1 | H | 107.3° | 109.8° |
C1 | C2 | H5 | 108.3° | 109.6° |
C1 | C2 | H6 | 108.3° | 109.5° |
C14 | C13 | C12 | 120.1° | 120.2° |
C13 | C14 | C15 | 119.3° | 120.3° |
C13 | C14 | H13 | 120.4° | 119.9° |
C13 | C12 | C3 | 118.4° | 121.4° |
C13 | C12 | C17 | 119.6° | 119.7° |
C14 | C15 | C16 | 121.4° | 119.8° |
C15 | C14 | H13 | 120.3° | 119.9° |
C14 | C15 | H14 | 119.3° | 120.2° |
C2 | C3 | C12 | 102.9° | 110.5° |
C2 | C3 | N | 109.1° | 109.3° |
C2 | C3 | H1 | 106.7° | 109.3° |
C3 | C2 | H5 | 108.3° | 109.5° |
C3 | C2 | H6 | 108.4° | 109.6° |
C12 | C3 | N | 122.2° | 109.2° |
C3 | C12 | C17 | 121.7° | 118.8° |
C12 | C3 | H1 | 107.1° | 109.3° |
C3 | N | C4 | 122.9° | 120.0° |
N | C3 | H1 | 107.9° | 109.3° |
C3 | N | H7 | 106.0° | 120.0° |
C12 | C17 | C16 | 121.1° | 120.2° |
C12 | C17 | H15 | 119.5° | 119.9° |
C15 | C16 | C17 | 118.4° | 119.9° |
C15 | C16 | C18 | 121.4° | 120.1° |
C16 | C15 | H14 | 119.3° | 120.1° |
C6 | S | C9 | 91.0° | 92.2° |
S | C6 | C5 | 126.9° | 130.5° |
S | C6 | C7 | 111.2° | 109.7° |
S | C9 | C8 | 113.3° | 111.5° |
S | C9 | H10 | 123.4° | 124.3° |
C6 | C5 | C4 | 118.9° | 120.1° |
C5 | C6 | C7 | 121.9° | 119.8° |
C6 | C5 | H8 | 120.5° | 119.9° |
C5 | C4 | N | 123.0° | 120.0° |
C5 | C4 | C11 | 120.0° | 120.1° |
C4 | C5 | H8 | 120.6° | 119.9° |
N | C4 | C11 | 117.0° | 120.0° |
C4 | N | H7 | 106.0° | 120.0° |
C17 | C16 | C18 | 120.2° | 120.1° |
C16 | C17 | H15 | 119.5° | 119.9° |
C16 | C18 | C23 | 121.1° | 120.0° |
C16 | C18 | C19 | 121.1° | 120.0° |
C6 | C7 | C8 | 111.7° | 111.8° |
C6 | C7 | C10 | 117.4° | 119.0° |
C4 | C11 | C10 | 120.2° | 120.5° |
C4 | C11 | H12 | 119.9° | 119.7° |
C9 | C8 | C7 | 112.9° | 114.9° |
C9 | C8 | H9 | 123.5° | 122.6° |
C8 | C9 | H10 | 123.4° | 124.2° |
C8 | C7 | C10 | 130.9° | 129.3° |
C7 | C8 | H9 | 123.6° | 122.5° |
C7 | C10 | C11 | 121.4° | 120.6° |
C7 | C10 | H11 | 119.3° | 119.7° |
C11 | C10 | H11 | 119.3° | 119.7° |
C10 | C11 | H12 | 119.9° | 119.8° |
C23 | C18 | C19 | 117.8° | 120.0° |
C18 | C23 | C22 | 121.1° | 120.0° |
C18 | C23 | H19 | 119.4° | 120.0° |
C18 | C19 | C20 | 121.2° | 120.1° |
C18 | C19 | H16 | 119.4° | 119.9° |
C23 | C22 | C21 | 120.6° | 120.0° |
C23 | C22 | H18 | 119.7° | 120.0° |
C22 | C23 | H19 | 119.4° | 120.0° |
C19 | C20 | C21 | 120.6° | 120.0° |
C20 | C19 | H16 | 119.4° | 120.0° |
C19 | C20 | H17 | 119.7° | 120.0° |
C22 | C21 | C20 | 118.7° | 120.0° |
C22 | C21 | C24 | 120.8° | 120.0° |
C21 | C22 | H18 | 119.7° | 120.0° |
C20 | C21 | C24 | 120.5° | 120.0° |
C21 | C20 | H17 | 119.7° | 120.0° |
C21 | C24 | O1 | 117.3° | 120.0° |
C21 | C24 | O | 116.9° | 120.0° |
O1 | C24 | O | 125.8° | 120.0° |
C24 | O | H23 | 109.5° | 117.0° |
H5 | C2 | H6 | 109.5° | 109.8° |
H3 | C | H2 | 109.5° | 109.5° |
H3 | C | H4 | 109.5° | 109.5° |
H2 | C | H4 | 109.5° | 109.5° |
H22 | C26 | H20 | 109.5° | 109.5° |
H22 | C26 | H21 | 109.4° | 109.5° |
H20 | C26 | H21 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C25 | C26 | N1 | 176.7° | 179.9° |
O2 | C25 | N1 | C1 | 8.5° | 145.1° |
O2 | C25 | N1 | C13 | 171.7° | 35.2° |
O2 | C25 | C26 | H22 | 0.0° | 97.7° |
O2 | C25 | C26 | H20 | 120.0° | 22.3° |
O2 | C25 | C26 | H21 | 120.0° | 142.2° |
C26 | C25 | N1 | C1 | 174.8° | 34.8° |
C26 | C25 | N1 | C13 | 5.1° | 144.9° |
C25 | C26 | H22 | H20 | 120.0° | 120.0° |
C25 | C26 | H22 | H21 | 120.0° | 120.0° |
C25 | C26 | H20 | H21 | 120.0° | 119.9° |
C25 | N1 | C1 | C | 76.4° | 15.4° |
C25 | N1 | C1 | C13 | 179.9° | 179.7° |
C25 | N1 | C1 | C2 | 157.2° | 135.0° |
C25 | N1 | C13 | C14 | 46.1° | 13.7° |
C25 | N1 | C13 | C12 | 134.1° | 166.3° |
C25 | N1 | C1 | H | 40.4° | 105.4° |
N1 | C25 | C26 | H22 | 176.6° | 82.2° |
N1 | C25 | C26 | H20 | 63.4° | 157.8° |
N1 | C25 | C26 | H21 | 56.7° | 37.9° |
C | C1 | N1 | C2 | 126.4° | 119.6° |
C | C1 | N1 | H | 116.8° | 120.9° |
C | C1 | N1 | C13 | 103.7° | 164.3° |
C | C1 | C2 | H | 118.7° | 120.8° |
C | C1 | C2 | C3 | 156.4° | 177.1° |
C | C1 | C2 | H5 | 82.9° | 57.4° |
C | C1 | C2 | H6 | 35.7° | 63.1° |
C1 | C | H3 | H2 | 120.0° | 120.0° |
C1 | C | H3 | H4 | 120.0° | 120.0° |
C1 | C | H2 | H4 | 120.0° | 120.0° |
N1 | C1 | C2 | H | 117.3° | 119.6° |
C1 | N1 | C13 | C14 | 134.1° | 166.6° |
C1 | N1 | C13 | C12 | 45.8° | 13.4° |
N1 | C1 | C2 | C3 | 32.5° | 63.3° |
N1 | C1 | C2 | H5 | 153.1° | 176.9° |
N1 | C1 | C2 | H6 | 88.2° | 56.4° |
N1 | C1 | C | H3 | 180.0° | 59.3° |
N1 | C1 | C | H2 | 60.0° | 179.3° |
N1 | C1 | C | H4 | 60.0° | 60.7° |
C13 | N1 | C1 | C2 | 22.7° | 44.7° |
N1 | C13 | C14 | C12 | 179.9° | 180.0° |
N1 | C13 | C14 | C15 | 179.7° | 179.8° |
N1 | C13 | C12 | C3 | 8.7° | 0.3° |
N1 | C13 | C12 | C17 | 177.7° | 179.8° |
C13 | N1 | C1 | H | 139.5° | 74.8° |
N1 | C13 | C14 | H13 | 0.3° | 0.1° |
C1 | C2 | C3 | H5 | 120.7° | 119.8° |
C1 | C2 | C3 | H6 | 120.7° | 119.7° |
C1 | C2 | C3 | C12 | 63.1° | 51.4° |
C1 | C2 | C3 | N | 165.7° | 171.6° |
C1 | C2 | C3 | H1 | 49.4° | 68.9° |
C1 | C2 | H5 | H6 | 118.0° | 120.3° |
C2 | C1 | C | H3 | 55.9° | 59.1° |
C2 | C1 | C | H2 | 176.0° | 60.9° |
C2 | C1 | C | H4 | 64.1° | 179.1° |
C13 | C14 | C15 | H13 | 180.0° | 180.0° |
C14 | C13 | C12 | C3 | 171.2° | 179.7° |
C14 | C13 | C12 | C17 | 2.4° | 0.2° |
C13 | C14 | C15 | C16 | 1.4° | 0.0° |
C13 | C14 | C15 | H14 | 178.6° | 179.9° |
C12 | C13 | C14 | C15 | 0.4° | 0.1° |
C13 | C12 | C3 | C2 | 42.0° | 20.5° |
C13 | C12 | C3 | C17 | 173.4° | 179.9° |
C13 | C12 | C3 | N | 164.7° | 140.8° |
C13 | C12 | C17 | C16 | 2.6° | 0.1° |
C13 | C12 | C3 | H1 | 70.3° | 99.8° |
C12 | C13 | C14 | H13 | 179.6° | 179.9° |
C13 | C12 | C17 | H15 | 177.4° | 179.8° |
C14 | C15 | C16 | H14 | 180.0° | 179.9° |
C14 | C15 | C16 | C17 | 1.2° | 0.1° |
C14 | C15 | C16 | C18 | 179.4° | 179.9° |
C2 | C3 | C12 | N | 122.7° | 120.2° |
C2 | C3 | C12 | H1 | 112.3° | 120.3° |
C2 | C3 | N | H1 | 115.6° | 119.5° |
C2 | C3 | C12 | C17 | 131.4° | 159.5° |
C2 | C3 | N | C4 | 152.9° | 154.0° |
C3 | C2 | C1 | H | 84.8° | 56.3° |
C3 | C2 | H5 | H6 | 118.0° | 120.4° |
C2 | C3 | N | H7 | 31.1° | 26.0° |
C12 | C3 | N | H1 | 124.6° | 119.5° |
C12 | C3 | N | C4 | 87.2° | 85.1° |
C3 | C12 | C17 | C16 | 170.7° | 179.8° |
C12 | C3 | C2 | H5 | 176.2° | 171.1° |
C12 | C3 | C2 | H6 | 57.6° | 68.4° |
C12 | C3 | N | H7 | 150.9° | 95.0° |
C3 | C12 | C17 | H15 | 9.3° | 0.3° |
N | C3 | C12 | C17 | 8.7° | 39.3° |
C3 | N | C4 | C5 | 7.3° | 180.0° |
C3 | N | C4 | H7 | 121.8° | 179.9° |
C3 | N | C4 | C11 | 171.8° | 0.2° |
N | C3 | C2 | H5 | 45.1° | 68.7° |
N | C3 | C2 | H6 | 73.6° | 51.8° |
C12 | C17 | C16 | C15 | 0.8° | 0.0° |
C12 | C17 | C16 | H15 | 180.0° | 179.9° |
C12 | C17 | C16 | C18 | 178.6° | 179.9° |
C17 | C12 | C3 | H1 | 116.3° | 80.2° |
C15 | C16 | C17 | C18 | 179.5° | 180.0° |
C15 | C16 | C18 | C23 | 2.7° | 0.0° |
C15 | C16 | C18 | C19 | 176.3° | 179.7° |
C16 | C15 | C14 | H13 | 178.6° | 180.0° |
C15 | C16 | C17 | H15 | 179.2° | 179.9° |
S | C6 | C5 | C7 | 179.0° | 179.5° |
S | C6 | C5 | C4 | 179.4° | 179.5° |
C6 | S | C9 | C8 | 0.5° | 0.2° |
S | C6 | C7 | C8 | 0.9° | 0.3° |
S | C6 | C7 | C10 | 176.6° | 179.8° |
C6 | S | C9 | H10 | 179.4° | 179.8° |
S | C6 | C5 | H8 | 0.6° | 0.6° |
C9 | S | C6 | C5 | 179.9° | 179.9° |
C9 | S | C6 | C7 | 0.8° | 0.3° |
S | C9 | C8 | H10 | 180.0° | 180.0° |
S | C9 | C8 | C7 | 0.1° | 0.0° |
S | C9 | C8 | H9 | 179.9° | 180.0° |
C6 | C5 | C4 | H8 | 180.0° | 179.9° |
C6 | C5 | C4 | N | 174.7° | 180.0° |
C6 | C5 | C4 | C11 | 4.5° | 0.3° |
C5 | C6 | C7 | C8 | 180.0° | 180.0° |
C5 | C6 | C7 | C10 | 2.5° | 0.2° |
C5 | C4 | N | C11 | 179.2° | 179.8° |
C4 | C5 | C6 | C7 | 0.4° | 0.0° |
C5 | C4 | C11 | C10 | 5.5° | 0.3° |
C5 | C4 | N | H7 | 129.2° | 0.1° |
C5 | C4 | C11 | H12 | 174.5° | 179.9° |
N | C4 | C11 | C10 | 173.7° | 180.0° |
N | C4 | C5 | H8 | 5.3° | 0.1° |
C4 | N | C3 | H1 | 37.4° | 34.4° |
N | C4 | C11 | H12 | 6.3° | 0.3° |
C17 | C16 | C18 | C23 | 177.9° | 180.0° |
C17 | C16 | C18 | C19 | 3.1° | 0.3° |
C17 | C16 | C15 | H14 | 178.8° | 179.9° |
C16 | C18 | C23 | C19 | 179.0° | 179.7° |
C16 | C18 | C23 | C22 | 178.1° | 179.8° |
C16 | C18 | C19 | C20 | 178.8° | 180.0° |
C18 | C16 | C15 | H14 | 0.6° | 0.2° |
C18 | C16 | C17 | H15 | 1.4° | 0.0° |
C16 | C18 | C19 | H16 | 1.1° | 0.1° |
C16 | C18 | C23 | H19 | 1.9° | 0.0° |
C6 | C7 | C8 | C9 | 0.5° | 0.2° |
C6 | C7 | C8 | C10 | 177.1° | 179.8° |
C6 | C7 | C10 | C11 | 1.5° | 0.2° |
C6 | C7 | C8 | H9 | 179.5° | 179.8° |
C7 | C6 | C5 | H8 | 179.6° | 179.9° |
C6 | C7 | C10 | H11 | 178.6° | 179.7° |
C4 | C11 | C10 | C7 | 2.5° | 0.0° |
C4 | C11 | C10 | H12 | 180.0° | 179.7° |
C11 | C4 | C5 | H8 | 175.5° | 179.7° |
C11 | C4 | N | H7 | 50.0° | 179.7° |
C4 | C11 | C10 | H11 | 177.4° | 180.0° |
C9 | C8 | C7 | H9 | 180.0° | 180.0° |
C9 | C8 | C7 | C10 | 176.6° | 180.0° |
C8 | C7 | C10 | C11 | 178.4° | 180.0° |
C7 | C8 | C9 | H10 | 179.8° | 179.9° |
C8 | C7 | C10 | H11 | 1.7° | 0.1° |
C7 | C10 | C11 | H11 | 180.0° | 180.0° |
C10 | C7 | C8 | H9 | 3.4° | 0.0° |
C7 | C10 | C11 | H12 | 177.5° | 179.7° |
C18 | C23 | C22 | H19 | 180.0° | 179.7° |
C23 | C18 | C19 | C20 | 0.2° | 0.3° |
C18 | C23 | C22 | C21 | 0.5° | 0.5° |
C23 | C18 | C19 | H16 | 179.9° | 179.8° |
C18 | C23 | C22 | H18 | 179.5° | 179.8° |
C19 | C18 | C23 | C22 | 0.9° | 0.5° |
C18 | C19 | C20 | H16 | 180.0° | 179.9° |
C18 | C19 | C20 | C21 | 1.0° | 0.0° |
C18 | C19 | C20 | H17 | 179.0° | 180.0° |
C19 | C18 | C23 | H19 | 179.1° | 179.8° |
C23 | C22 | C21 | H18 | 180.0° | 179.7° |
C23 | C22 | C21 | C20 | 0.7° | 0.3° |
C23 | C22 | C21 | C24 | 177.7° | 179.7° |
C19 | C20 | C21 | C22 | 1.4° | 0.0° |
C19 | C20 | C21 | H17 | 180.0° | 180.0° |
C19 | C20 | C21 | C24 | 177.0° | 180.0° |
C22 | C21 | C20 | C24 | 178.3° | 180.0° |
C22 | C21 | C24 | O1 | 97.1° | 180.0° |
C22 | C21 | C24 | O | 83.5° | 0.0° |
C22 | C21 | C20 | H17 | 178.6° | 180.0° |
C21 | C22 | C23 | H19 | 179.5° | 179.8° |
C20 | C21 | C24 | O1 | 84.6° | 0.0° |
C20 | C21 | C24 | O | 94.8° | 180.0° |
C21 | C20 | C19 | H16 | 179.0° | 180.0° |
C20 | C21 | C22 | H18 | 179.3° | 180.0° |
C21 | C24 | O1 | O | 179.4° | 180.0° |
C21 | C24 | O | H23 | 179.4° | 179.9° |
C24 | C21 | C20 | H17 | 3.1° | 0.0° |
C24 | C21 | C22 | H18 | 2.3° | 0.0° |
O1 | C24 | O | H23 | 0.0° | 0.1° |
H9 | C8 | C9 | H10 | 0.1° | 0.0° |
H | C1 | C2 | H5 | 35.8° | 63.5° |
H | C1 | C2 | H6 | 154.5° | 176.0° |
H | C1 | C | H3 | 62.8° | 179.9° |
H | C1 | C | H2 | 57.3° | 59.9° |
H | C1 | C | H4 | 177.2° | 60.1° |
H1 | C3 | C2 | H5 | 71.2° | 50.8° |
H1 | C3 | C2 | H6 | 170.1° | 171.3° |
H1 | C3 | N | H7 | 84.5° | 145.5° |
H3 | C | H2 | H4 | 120.0° | 120.0° |
H11 | C10 | C11 | H12 | 2.6° | 0.3° |
H13 | C14 | C15 | H14 | 1.4° | 0.1° |
H16 | C19 | C20 | H17 | 1.0° | 0.1° |
H18 | C22 | C23 | H19 | 0.5° | 0.1° |
H22 | C26 | H20 | H21 | 120.0° | 120.1° |