7RU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| O1 | C3 | doub | 1.22Å | 1.18Å | |
| N1 | C3 | sing | 1.35Å | 1.34Å | |
| N1 | C1 | sing | 1.47Å | 1.43Å | |
| C3 | N2 | sing | 1.35Å | 1.49Å | |
| C9 | C4 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| N2 | C4 | sing | 1.46Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | N3 | sing | 1.47Å | 1.31Å | |
| N3 | C12 | sing | 1.47Å | 1.36Å | |
| N3 | C15 | sing | 1.47Å | 1.38Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | N4 | sing | 1.47Å | 1.46Å | |
| C14 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C16 | sing | 1.40Å | 1.48Å | |
| C16 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| CL2 | C17 | sing | 1.74Å | 1.79Å | |
| C17 | C18 | doub | 1.38Å | 1.36Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | CL1 | sing | 1.73Å | 1.79Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 107.9° | 120.0° |
| C2 | N1 | C1 | 127.5° | 120.0° |
| N1 | C2 | H28 | 109.5° | 109.5° |
| N1 | C2 | H29 | 109.5° | 109.5° |
| N1 | C2 | H30 | 109.5° | 109.4° |
| O1 | C3 | N1 | 126.7° | 120.0° |
| O1 | C3 | N2 | 114.1° | 120.0° |
| C3 | N1 | C1 | 124.6° | 120.0° |
| N1 | C3 | N2 | 119.1° | 120.0° |
| N1 | C1 | H18 | 109.5° | 109.4° |
| N1 | C1 | H19 | 109.4° | 109.5° |
| N1 | C1 | H20 | 109.5° | 109.5° |
| C3 | N2 | C4 | 126.3° | 120.0° |
| C3 | N2 | H33 | 116.9° | 120.0° |
| C4 | C9 | C8 | 108.3° | 109.5° |
| C9 | C4 | N2 | 115.8° | 109.5° |
| C9 | C4 | C5 | 109.8° | 109.5° |
| C9 | C4 | H2 | 105.9° | 109.4° |
| C4 | C9 | H31 | 109.8° | 109.4° |
| C4 | C9 | H32 | 109.8° | 109.5° |
| C9 | C8 | C7 | 115.2° | 109.5° |
| C9 | C8 | H8 | 108.0° | 109.5° |
| C9 | C8 | H9 | 108.0° | 109.4° |
| C8 | C9 | H31 | 109.8° | 109.5° |
| C8 | C9 | H32 | 109.8° | 109.5° |
| N2 | C4 | C5 | 112.4° | 109.5° |
| N2 | C4 | H2 | 106.4° | 109.5° |
| C4 | N2 | H33 | 116.8° | 120.0° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | H2 | 105.8° | 109.5° |
| C4 | C5 | H3 | 108.8° | 109.5° |
| C4 | C5 | H4 | 108.9° | 109.5° |
| C8 | C7 | C6 | 112.5° | 109.4° |
| C8 | C7 | C10 | 108.2° | 109.4° |
| C8 | C7 | H7 | 109.2° | 109.5° |
| C7 | C8 | H8 | 108.0° | 109.5° |
| C7 | C8 | H9 | 108.0° | 109.4° |
| C5 | C6 | C7 | 110.4° | 109.5° |
| C6 | C5 | H3 | 108.9° | 109.4° |
| C6 | C5 | H4 | 108.9° | 109.4° |
| C5 | C6 | H5 | 109.3° | 109.5° |
| C5 | C6 | H6 | 109.2° | 109.5° |
| C6 | C7 | C10 | 108.6° | 109.5° |
| C7 | C6 | H5 | 109.2° | 109.5° |
| C7 | C6 | H6 | 109.2° | 109.4° |
| C6 | C7 | H7 | 109.2° | 109.5° |
| C7 | C10 | C11 | 112.9° | 109.5° |
| C10 | C7 | H7 | 109.1° | 109.5° |
| C7 | C10 | H10 | 108.6° | 109.5° |
| C7 | C10 | H11 | 108.6° | 109.4° |
| C10 | C11 | N3 | 116.3° | 109.5° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C10 | H11 | 108.6° | 109.4° |
| C10 | C11 | H21 | 107.7° | 109.4° |
| C10 | C11 | H22 | 107.8° | 109.5° |
| C11 | N3 | C12 | 111.5° | 110.9° |
| C11 | N3 | C15 | 117.0° | 111.0° |
| N3 | C11 | H21 | 107.7° | 109.5° |
| N3 | C11 | H22 | 107.7° | 109.5° |
| C12 | N3 | C15 | 110.7° | 110.9° |
| N3 | C12 | C13 | 112.1° | 109.3° |
| N3 | C12 | H23 | 108.8° | 109.5° |
| N3 | C12 | H24 | 108.8° | 109.5° |
| N3 | C15 | C14 | 111.4° | 109.3° |
| N3 | C15 | H14 | 109.0° | 109.4° |
| N3 | C15 | H15 | 109.0° | 109.5° |
| C12 | C13 | N4 | 117.6° | 109.3° |
| C12 | C13 | H12 | 107.4° | 109.5° |
| C12 | C13 | H13 | 107.4° | 109.5° |
| C13 | C12 | H23 | 108.8° | 109.5° |
| C13 | C12 | H24 | 108.8° | 109.5° |
| C15 | C14 | N4 | 114.5° | 109.4° |
| C14 | C15 | H14 | 109.0° | 109.5° |
| C14 | C15 | H15 | 109.0° | 109.5° |
| C15 | C14 | H25 | 108.2° | 109.5° |
| C15 | C14 | H26 | 108.2° | 109.5° |
| C13 | N4 | C14 | 110.0° | 110.8° |
| C13 | N4 | C16 | 115.9° | 111.0° |
| N4 | C13 | H12 | 107.4° | 109.4° |
| N4 | C13 | H13 | 107.4° | 109.5° |
| C14 | N4 | C16 | 118.5° | 111.0° |
| N4 | C14 | H25 | 108.2° | 109.5° |
| N4 | C14 | H26 | 108.2° | 109.5° |
| N4 | C16 | C21 | 118.3° | 120.1° |
| N4 | C16 | C17 | 122.7° | 120.1° |
| C21 | C16 | C17 | 119.0° | 119.9° |
| C16 | C21 | C20 | 120.2° | 119.9° |
| C16 | C21 | H17 | 119.9° | 120.0° |
| C16 | C17 | CL2 | 129.7° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.1° |
| C21 | C20 | H16 | 119.9° | 120.0° |
| C20 | C21 | H17 | 119.9° | 120.0° |
| CL2 | C17 | C18 | 109.9° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.0° |
| C17 | C18 | CL1 | 111.9° | 120.0° |
| C20 | C19 | C18 | 119.8° | 120.2° |
| C19 | C20 | H16 | 119.9° | 119.9° |
| C20 | C19 | H27 | 120.1° | 119.9° |
| C19 | C18 | CL1 | 127.7° | 120.0° |
| C18 | C19 | H27 | 120.1° | 119.9° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.6° |
| H18 | C1 | H19 | 109.5° | 109.4° |
| H18 | C1 | H20 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H28 | C2 | H29 | 109.5° | 109.5° |
| H28 | C2 | H30 | 109.4° | 109.5° |
| H29 | C2 | H30 | 109.4° | 109.5° |
| H31 | C9 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | O1 | 3.6° | 179.7° |
| C2 | N1 | C3 | C1 | 176.3° | 179.8° |
| C2 | N1 | C3 | N2 | 179.4° | 0.3° |
| C2 | N1 | C1 | H18 | 180.0° | 89.7° |
| C2 | N1 | C1 | H19 | 60.0° | 30.2° |
| C2 | N1 | C1 | H20 | 60.0° | 150.3° |
| N1 | C2 | H28 | H29 | 120.0° | 120.0° |
| N1 | C2 | H28 | H30 | 120.0° | 119.9° |
| N1 | C2 | H29 | H30 | 120.0° | 119.9° |
| O1 | C3 | N1 | N2 | 175.8° | 180.0° |
| O1 | C3 | N1 | C1 | 179.9° | 0.0° |
| O1 | C3 | N2 | C4 | 3.6° | 0.0° |
| O1 | C3 | N2 | H33 | 176.4° | 180.0° |
| N1 | C3 | N2 | C4 | 179.9° | 180.0° |
| C3 | N1 | C1 | H18 | 4.4° | 90.0° |
| C3 | N1 | C1 | H19 | 115.6° | 150.0° |
| C3 | N1 | C1 | H20 | 124.4° | 30.0° |
| C3 | N1 | C2 | H28 | 180.0° | 89.9° |
| C3 | N1 | C2 | H29 | 60.0° | 150.0° |
| C3 | N1 | C2 | H30 | 60.0° | 30.0° |
| N1 | C3 | N2 | H33 | 0.0° | 0.0° |
| C1 | N1 | C3 | N2 | 4.3° | 180.0° |
| N1 | C1 | H18 | H19 | 120.0° | 120.0° |
| N1 | C1 | H18 | H20 | 120.0° | 120.0° |
| N1 | C1 | H19 | H20 | 120.0° | 120.0° |
| C1 | N1 | C2 | H28 | 3.8° | 90.3° |
| C1 | N1 | C2 | H29 | 116.2° | 29.8° |
| C1 | N1 | C2 | H30 | 123.8° | 149.8° |
| C3 | N2 | C4 | C9 | 30.5° | 85.0° |
| C3 | N2 | C4 | H33 | 180.0° | 180.0° |
| C3 | N2 | C4 | C5 | 157.8° | 155.0° |
| C3 | N2 | C4 | H2 | 86.9° | 35.0° |
| C4 | C9 | C8 | H31 | 119.8° | 120.0° |
| C4 | C9 | C8 | H32 | 119.8° | 120.0° |
| C9 | C4 | N2 | C5 | 127.3° | 120.0° |
| C9 | C4 | N2 | H2 | 117.4° | 120.0° |
| C9 | C4 | C5 | H2 | 113.9° | 120.0° |
| C4 | C9 | C8 | C7 | 53.8° | 60.0° |
| C9 | C4 | C5 | C6 | 62.3° | 60.0° |
| C9 | C4 | C5 | H3 | 177.3° | 179.9° |
| C9 | C4 | C5 | H4 | 58.0° | 60.0° |
| C4 | C9 | C8 | H8 | 174.7° | 60.1° |
| C4 | C9 | C8 | H9 | 67.1° | 180.0° |
| C4 | C9 | H31 | H32 | 120.5° | 120.0° |
| C9 | C4 | N2 | H33 | 149.5° | 95.0° |
| C8 | C9 | C4 | N2 | 172.7° | 180.0° |
| C8 | C9 | C4 | C5 | 58.7° | 60.0° |
| C9 | C8 | C7 | H8 | 120.8° | 120.1° |
| C9 | C8 | C7 | H9 | 120.9° | 120.0° |
| C9 | C8 | C7 | C6 | 49.3° | 60.0° |
| C9 | C8 | C7 | C10 | 169.3° | 180.0° |
| C8 | C9 | C4 | H2 | 55.1° | 60.0° |
| C9 | C8 | C7 | H7 | 72.1° | 59.9° |
| C9 | C8 | H8 | H9 | 117.4° | 119.9° |
| C8 | C9 | H31 | H32 | 120.5° | 120.0° |
| N2 | C4 | C5 | H2 | 115.7° | 120.0° |
| N2 | C4 | C5 | C6 | 167.2° | 180.0° |
| N2 | C4 | C5 | H3 | 46.9° | 60.0° |
| N2 | C4 | C5 | H4 | 72.4° | 60.0° |
| N2 | C4 | C9 | H31 | 67.4° | 60.0° |
| N2 | C4 | C9 | H32 | 52.9° | 59.9° |
| C4 | C5 | C6 | H3 | 120.4° | 120.0° |
| C4 | C5 | C6 | H4 | 120.4° | 120.0° |
| C4 | C5 | C6 | C7 | 55.8° | 60.0° |
| C4 | C5 | H3 | H4 | 118.9° | 120.1° |
| C4 | C5 | C6 | H5 | 64.4° | 60.0° |
| C4 | C5 | C6 | H6 | 175.9° | 180.0° |
| C5 | C4 | C9 | H31 | 61.2° | 60.0° |
| C5 | C4 | C9 | H32 | 178.5° | 180.0° |
| C5 | C4 | N2 | H33 | 22.2° | 25.0° |
| C8 | C7 | C6 | C5 | 48.2° | 60.0° |
| C8 | C7 | C6 | C10 | 119.8° | 119.9° |
| C8 | C7 | C6 | H7 | 121.4° | 120.0° |
| C8 | C7 | C10 | H7 | 118.7° | 120.0° |
| C8 | C7 | C10 | C11 | 107.2° | 65.1° |
| C8 | C7 | C6 | H5 | 72.0° | 60.0° |
| C8 | C7 | C6 | H6 | 168.3° | 180.0° |
| C7 | C8 | H8 | H9 | 117.4° | 120.0° |
| C8 | C7 | C10 | H10 | 13.3° | 55.0° |
| C8 | C7 | C10 | H11 | 132.3° | 175.0° |
| C7 | C8 | C9 | H31 | 66.0° | 59.9° |
| C7 | C8 | C9 | H32 | 173.6° | 179.9° |
| C5 | C6 | C7 | H5 | 120.2° | 120.0° |
| C5 | C6 | C7 | H6 | 120.1° | 120.0° |
| C5 | C6 | C7 | C10 | 168.0° | 179.9° |
| C6 | C5 | C4 | H2 | 51.5° | 60.0° |
| C6 | C5 | H3 | H4 | 118.9° | 119.9° |
| C5 | C6 | H5 | H6 | 119.6° | 120.1° |
| C5 | C6 | C7 | H7 | 73.2° | 60.0° |
| C6 | C7 | C10 | H7 | 118.9° | 120.1° |
| C6 | C7 | C10 | C11 | 130.4° | 175.0° |
| C7 | C6 | C5 | H3 | 176.1° | 180.0° |
| C7 | C6 | C5 | H4 | 64.6° | 60.0° |
| C7 | C6 | H5 | H6 | 119.6° | 119.9° |
| C6 | C7 | C8 | H8 | 170.1° | 60.0° |
| C6 | C7 | C8 | H9 | 71.6° | 180.0° |
| C6 | C7 | C10 | H10 | 109.1° | 64.9° |
| C6 | C7 | C10 | H11 | 9.8° | 55.1° |
| C7 | C10 | C11 | H10 | 120.5° | 120.1° |
| C7 | C10 | C11 | H11 | 120.5° | 119.9° |
| C7 | C10 | C11 | N3 | 117.9° | 180.0° |
| C10 | C7 | C6 | H5 | 47.8° | 59.9° |
| C10 | C7 | C6 | H6 | 71.9° | 60.0° |
| C10 | C7 | C8 | H8 | 69.9° | 59.9° |
| C10 | C7 | C8 | H9 | 48.4° | 60.0° |
| C7 | C10 | H10 | H11 | 118.4° | 120.0° |
| C7 | C10 | C11 | H21 | 3.1° | 60.1° |
| C7 | C10 | C11 | H22 | 121.1° | 59.9° |
| C10 | C11 | N3 | H21 | 121.0° | 119.9° |
| C10 | C11 | N3 | H22 | 121.0° | 120.0° |
| C10 | C11 | N3 | C12 | 110.7° | 170.0° |
| C10 | C11 | N3 | C15 | 18.1° | 66.3° |
| C11 | C10 | C7 | H7 | 11.5° | 54.9° |
| C11 | C10 | H10 | H11 | 118.4° | 120.0° |
| C10 | C11 | H21 | H22 | 116.9° | 120.0° |
| C11 | N3 | C12 | C15 | 132.1° | 123.8° |
| C11 | N3 | C12 | C13 | 170.6° | 176.8° |
| C11 | N3 | C15 | C14 | 167.7° | 176.8° |
| N3 | C11 | C10 | H10 | 121.6° | 60.0° |
| N3 | C11 | C10 | H11 | 2.6° | 60.0° |
| C11 | N3 | C15 | H14 | 47.4° | 56.9° |
| C11 | N3 | C15 | H15 | 72.0° | 63.2° |
| N3 | C11 | H21 | H22 | 116.9° | 120.1° |
| C11 | N3 | C12 | H23 | 69.0° | 63.2° |
| C11 | N3 | C12 | H24 | 50.2° | 56.9° |
| N3 | C12 | C13 | H23 | 120.4° | 120.0° |
| N3 | C12 | C13 | H24 | 120.4° | 120.0° |
| C12 | N3 | C15 | C14 | 63.1° | 59.4° |
| N3 | C12 | C13 | N4 | 45.2° | 58.4° |
| N3 | C12 | C13 | H12 | 166.4° | 178.3° |
| N3 | C12 | C13 | H13 | 75.9° | 61.5° |
| C12 | N3 | C15 | H14 | 176.6° | 179.3° |
| C12 | N3 | C15 | H15 | 57.2° | 60.6° |
| C12 | N3 | C11 | H21 | 10.3° | 50.0° |
| C12 | N3 | C11 | H22 | 128.3° | 70.0° |
| N3 | C12 | H23 | H24 | 118.8° | 120.1° |
| C15 | N3 | C12 | C13 | 57.3° | 59.4° |
| N3 | C15 | C14 | H14 | 120.3° | 119.9° |
| N3 | C15 | C14 | H15 | 120.3° | 120.0° |
| N3 | C15 | C14 | N4 | 55.5° | 58.5° |
| N3 | C15 | H14 | H15 | 119.1° | 120.1° |
| C15 | N3 | C11 | H21 | 139.1° | 173.8° |
| C15 | N3 | C11 | H22 | 102.9° | 53.8° |
| C15 | N3 | C12 | H23 | 63.1° | 60.6° |
| C15 | N3 | C12 | H24 | 177.7° | 179.3° |
| N3 | C15 | C14 | H25 | 65.2° | 61.6° |
| N3 | C15 | C14 | H26 | 176.2° | 178.4° |
| C12 | C13 | N4 | H12 | 121.2° | 119.9° |
| C12 | C13 | N4 | H13 | 121.2° | 120.0° |
| C12 | C13 | N4 | C14 | 36.0° | 59.3° |
| C12 | C13 | N4 | C16 | 173.9° | 176.8° |
| C12 | C13 | H12 | H13 | 116.3° | 120.2° |
| C13 | C12 | H23 | H24 | 118.8° | 120.0° |
| C15 | C14 | N4 | C13 | 40.4° | 59.4° |
| C15 | C14 | N4 | H25 | 120.7° | 120.0° |
| C15 | C14 | N4 | H26 | 120.7° | 119.9° |
| C15 | C14 | N4 | C16 | 177.0° | 176.8° |
| C14 | C15 | H14 | H15 | 119.1° | 120.1° |
| C15 | C14 | H25 | H26 | 117.7° | 120.0° |
| C13 | N4 | C14 | C16 | 136.6° | 123.8° |
| C13 | N4 | C16 | C21 | 85.0° | 60.0° |
| C13 | N4 | C16 | C17 | 93.9° | 120.0° |
| N4 | C13 | H12 | H13 | 116.3° | 120.0° |
| N4 | C13 | C12 | H23 | 75.2° | 61.6° |
| N4 | C13 | C12 | H24 | 165.6° | 178.4° |
| C13 | N4 | C14 | H25 | 80.4° | 60.7° |
| C13 | N4 | C14 | H26 | 161.1° | 179.3° |
| C14 | N4 | C16 | C21 | 49.2° | 63.8° |
| C14 | N4 | C16 | C17 | 131.9° | 116.3° |
| C14 | N4 | C13 | H12 | 157.1° | 179.3° |
| C14 | N4 | C13 | H13 | 85.2° | 60.7° |
| N4 | C14 | C15 | H14 | 175.8° | 178.3° |
| N4 | C14 | C15 | H15 | 64.8° | 61.5° |
| N4 | C14 | H25 | H26 | 117.7° | 120.0° |
| N4 | C16 | C21 | C17 | 178.9° | 179.9° |
| N4 | C16 | C21 | C20 | 179.5° | 180.0° |
| N4 | C16 | C17 | CL2 | 1.1° | 0.3° |
| N4 | C16 | C17 | C18 | 179.6° | 180.0° |
| C16 | N4 | C13 | H12 | 65.0° | 56.9° |
| C16 | N4 | C13 | H13 | 52.7° | 63.2° |
| N4 | C16 | C21 | H17 | 0.5° | 0.1° |
| C16 | N4 | C14 | H25 | 56.3° | 63.2° |
| C16 | N4 | C14 | H26 | 62.3° | 56.9° |
| C16 | C21 | C20 | H17 | 180.0° | 179.9° |
| C21 | C16 | C17 | CL2 | 179.9° | 179.8° |
| C21 | C16 | C17 | C18 | 0.8° | 0.0° |
| C16 | C21 | C20 | C19 | 1.4° | 0.0° |
| C16 | C21 | C20 | H16 | 178.6° | 179.9° |
| C17 | C16 | C21 | C20 | 1.7° | 0.0° |
| C16 | C17 | CL2 | C18 | 179.4° | 179.7° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | CL1 | 179.9° | 180.0° |
| C17 | C16 | C21 | H17 | 178.4° | 180.0° |
| C21 | C20 | C19 | H16 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.3° | 0.1° |
| C21 | C20 | C19 | H27 | 179.7° | 180.0° |
| CL2 | C17 | C18 | C19 | 179.1° | 179.7° |
| CL2 | C17 | C18 | CL1 | 0.4° | 0.2° |
| C17 | C18 | C19 | C20 | 0.6° | 0.1° |
| C17 | C18 | C19 | CL1 | 179.4° | 179.9° |
| C17 | C18 | C19 | H27 | 179.4° | 180.0° |
| C20 | C19 | C18 | H27 | 180.0° | 180.0° |
| C20 | C19 | C18 | CL1 | 180.0° | 180.0° |
| C19 | C20 | C21 | H17 | 178.6° | 179.9° |
| C18 | C19 | C20 | H16 | 179.7° | 180.0° |
| CL1 | C18 | C19 | H27 | 0.0° | 0.0° |
| H2 | C4 | C5 | H3 | 68.8° | 60.0° |
| H2 | C4 | C5 | H4 | 171.9° | 180.0° |
| H2 | C4 | C9 | H31 | 174.9° | NaN° |
| H2 | C4 | C9 | H32 | 64.8° | 60.1° |
| H2 | C4 | N2 | H33 | 93.2° | 145.0° |
| H3 | C5 | C6 | H5 | 56.0° | 60.0° |
| H3 | C5 | C6 | H6 | 63.8° | 60.0° |
| H4 | C5 | C6 | H5 | 175.3° | 180.0° |
| H4 | C5 | C6 | H6 | 55.5° | 60.0° |
| H5 | C6 | C7 | H7 | 166.7° | NaN° |
| H6 | C6 | C7 | H7 | 46.9° | 60.0° |
| H7 | C7 | C8 | H8 | 48.7° | 180.0° |
| H7 | C7 | C8 | H9 | 167.0° | 60.0° |
| H7 | C7 | C10 | H10 | 132.0° | 175.0° |
| H7 | C7 | C10 | H11 | 109.1° | 65.0° |
| H8 | C8 | C9 | H31 | 54.8° | 179.9° |
| H8 | C8 | C9 | H32 | 65.5° | 59.9° |
| H9 | C8 | C9 | H31 | 173.1° | 60.0° |
| H9 | C8 | C9 | H32 | 52.8° | 60.0° |
| H10 | C10 | C11 | H21 | 117.4° | 60.0° |
| H10 | C10 | C11 | H22 | 0.6° | NaN° |
| H11 | C10 | C11 | H21 | 123.6° | 180.0° |
| H11 | C10 | C11 | H22 | 118.3° | 60.0° |
| H12 | C13 | C12 | H23 | 46.0° | 58.3° |
| H12 | C13 | C12 | H24 | 73.2° | 61.7° |
| H13 | C13 | C12 | H23 | 163.7° | 178.4° |
| H13 | C13 | C12 | H24 | 44.5° | 58.4° |
| H14 | C15 | C14 | H25 | 55.1° | 58.3° |
| H14 | C15 | C14 | H26 | 63.5° | 61.7° |
| H15 | C15 | C14 | H25 | 174.5° | 178.4° |
| H15 | C15 | C14 | H26 | 56.0° | 58.4° |
| H16 | C20 | C21 | H17 | 1.4° | 0.0° |
| H16 | C20 | C19 | H27 | 0.3° | 0.0° |
| H18 | C1 | H19 | H20 | 120.0° | 120.0° |
| H28 | C2 | H29 | H30 | 119.9° | 120.0° |
