RUP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.53Å | 1.58Å | |
| C1 | C5 | sing | 1.53Å | 2.57Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C6 | C9 | sing | 1.53Å | 1.59Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C9 | N10 | sing | 1.46Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.60Å | |
| C9 | C11 | sing | 1.53Å | 2.60Å | |
| N10 | C12 | sing | 1.35Å | 1.37Å | |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| C12 | O17 | doub | 1.22Å | 1.23Å | |
| C12 | N13 | sing | 1.35Å | 1.37Å | |
| N13 | C14 | sing | 1.46Å | 1.49Å | |
| N13 | H13 | sing | 0.97Å | 1.02Å | |
| C14 | C26 | sing | 1.51Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C26 | O31 | doub | 1.21Å | 1.23Å | |
| C26 | N27 | sing | 1.35Å | 1.36Å | |
| N27 | C28 | sing | 1.46Å | 1.46Å | |
| N27 | H27 | sing | 0.97Å | 1.02Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.51Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C30 | C36 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C35 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C34 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C33 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C22 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C20 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C19 | C23 | sing | 1.48Å | 1.52Å | |
| C19 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | N25 | sing | 1.38Å | 1.31Å | |
| C23 | N24 | doub | 1.30Å | 1.31Å | |
| N25 | H251 | sing | 0.97Å | 1.02Å | |
| N25 | H252 | sing | 0.97Å | 1.02Å | |
| N24 | H24 | sing | 0.97Å | 1.02Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.58Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C11 | C4 | sing | 1.53Å | 1.58Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C4 | C3 | sing | 1.53Å | 1.58Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C3 | C7 | sing | 1.53Å | 2.57Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| C2 | C7 | sing | 1.53Å | 1.57Å | |
| C2 | H21A | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C5 | 35.9° | 109.5° |
| C6 | C1 | C2 | 109.9° | 109.5° |
| C6 | C1 | H1 | 137.8° | 109.5° |
| C1 | C6 | C9 | 110.2° | 109.5° |
| C1 | C6 | H61 | 111.9° | 109.5° |
| C1 | C6 | H62 | 111.9° | 109.4° |
| C5 | C1 | C2 | 90.2° | 109.5° |
| C5 | C1 | H1 | 155.7° | 109.5° |
| C1 | C5 | C4 | 90.0° | 109.4° |
| C1 | C5 | H51 | 120.0° | 109.5° |
| C1 | C5 | H52 | 120.0° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.4° |
| C1 | C2 | C7 | 109.5° | 109.4° |
| C1 | C2 | H21A | 112.2° | 109.5° |
| C1 | C2 | H22A | 112.2° | 109.5° |
| C9 | C6 | H61 | 112.0° | 109.5° |
| C9 | C6 | H62 | 111.9° | 109.5° |
| C6 | C9 | N10 | 110.2° | 109.5° |
| C6 | C9 | C8 | 107.7° | 109.4° |
| C6 | C9 | C11 | 89.1° | 109.4° |
| H61 | C6 | H62 | 98.5° | 109.5° |
| N10 | C9 | C8 | 111.6° | 109.5° |
| N10 | C9 | C11 | 92.0° | 109.5° |
| C9 | N10 | C12 | 122.8° | 120.0° |
| C9 | N10 | H10 | 107.5° | 120.0° |
| C8 | C9 | C11 | 35.0° | 109.5° |
| C9 | C8 | C7 | 110.5° | 109.5° |
| C9 | C8 | H81 | 111.8° | 109.5° |
| C9 | C8 | H82 | 111.8° | 109.4° |
| C9 | C11 | C4 | 90.5° | 109.5° |
| C9 | C11 | H111 | 119.8° | 109.4° |
| C9 | C11 | H112 | 119.8° | 109.5° |
| C12 | N10 | H10 | 107.4° | 120.0° |
| N10 | C12 | O17 | 121.3° | 120.0° |
| N10 | C12 | N13 | 118.0° | 120.0° |
| O17 | C12 | N13 | 120.6° | 120.0° |
| C12 | N13 | C14 | 121.6° | 120.0° |
| C12 | N13 | H13 | 114.8° | 120.0° |
| C14 | N13 | H13 | 123.5° | 120.0° |
| N13 | C14 | C26 | 103.3° | 109.6° |
| N13 | C14 | C15 | 110.5° | 109.5° |
| N13 | C14 | H14 | 112.4° | 109.5° |
| C26 | C14 | C15 | 108.2° | 109.4° |
| C26 | C14 | H14 | 114.6° | 109.5° |
| C14 | C26 | O31 | 114.0° | 120.0° |
| C14 | C26 | N27 | 130.2° | 120.1° |
| C15 | C14 | H14 | 107.8° | 109.4° |
| C14 | C15 | C16 | 117.2° | 109.5° |
| C14 | C15 | H151 | 109.4° | 109.4° |
| C14 | C15 | H152 | 109.4° | 109.5° |
| O31 | C26 | N27 | 115.8° | 120.0° |
| C26 | N27 | C28 | 131.5° | 120.1° |
| C26 | N27 | H27 | 109.9° | 120.0° |
| C28 | N27 | H27 | 118.6° | 119.9° |
| N27 | C28 | C29 | 114.8° | 109.5° |
| N27 | C28 | H281 | 110.3° | 109.4° |
| N27 | C28 | H282 | 110.3° | 109.5° |
| C29 | C28 | H281 | 110.3° | 109.4° |
| C29 | C28 | H282 | 110.3° | 109.5° |
| C28 | C29 | C30 | 114.5° | 109.5° |
| C28 | C29 | H291 | 110.4° | 109.4° |
| C28 | C29 | H292 | 110.4° | 109.5° |
| H281 | C28 | H282 | 100.0° | 109.5° |
| C30 | C29 | H291 | 110.4° | 109.5° |
| C30 | C29 | H292 | 110.4° | 109.5° |
| C29 | C30 | C36 | 125.0° | 120.1° |
| C29 | C30 | C32 | 117.0° | 120.0° |
| H291 | C29 | H292 | 99.9° | 109.5° |
| C36 | C30 | C32 | 117.9° | 119.9° |
| C30 | C36 | C35 | 121.1° | 120.0° |
| C30 | C36 | H36 | 119.7° | 120.0° |
| C30 | C32 | C33 | 121.4° | 120.1° |
| C30 | C32 | H32 | 119.3° | 120.0° |
| C35 | C36 | H36 | 119.2° | 119.9° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C36 | C35 | H35 | 120.1° | 120.0° |
| C34 | C35 | H35 | 119.9° | 120.0° |
| C35 | C34 | C33 | 119.6° | 120.0° |
| C35 | C34 | H34 | 120.2° | 120.0° |
| C33 | C34 | H34 | 120.2° | 120.0° |
| C34 | C33 | C32 | 120.0° | 120.0° |
| C34 | C33 | H33 | 120.0° | 120.0° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C33 | C32 | H32 | 119.3° | 120.0° |
| C16 | C15 | H151 | 109.4° | 109.4° |
| C16 | C15 | H152 | 109.4° | 109.5° |
| C15 | C16 | C22 | 124.2° | 119.9° |
| C15 | C16 | C18 | 117.3° | 120.0° |
| H151 | C15 | H152 | 100.7° | 109.4° |
| C22 | C16 | C18 | 118.5° | 120.1° |
| C16 | C22 | C21 | 120.1° | 120.2° |
| C16 | C22 | H22 | 120.2° | 119.9° |
| C16 | C18 | C19 | 122.0° | 119.9° |
| C16 | C18 | H18 | 119.0° | 120.0° |
| C21 | C22 | H22 | 119.8° | 119.9° |
| C22 | C21 | C20 | 120.5° | 120.2° |
| C22 | C21 | H21 | 119.9° | 119.9° |
| C20 | C21 | H21 | 119.6° | 120.0° |
| C21 | C20 | C19 | 119.8° | 119.8° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.2° | 120.2° |
| C20 | C19 | C23 | 121.6° | 120.1° |
| C20 | C19 | C18 | 119.1° | 119.8° |
| C23 | C19 | C18 | 119.3° | 120.2° |
| C19 | C23 | N25 | 118.7° | 120.0° |
| C19 | C23 | N24 | 120.5° | 120.0° |
| C19 | C18 | H18 | 119.1° | 120.1° |
| N25 | C23 | N24 | 120.8° | 120.0° |
| C23 | N25 | H251 | 108.9° | 120.0° |
| C23 | N25 | H252 | 118.7° | 120.0° |
| C23 | N24 | H24 | 109.3° | 120.0° |
| H251 | N25 | H252 | 108.9° | 120.0° |
| C7 | C8 | H81 | 111.8° | 109.5° |
| C7 | C8 | H82 | 111.8° | 109.5° |
| C8 | C7 | C3 | 90.2° | 109.5° |
| C8 | C7 | C2 | 109.5° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| H81 | C8 | H82 | 98.6° | 109.4° |
| C4 | C11 | H111 | 119.8° | 109.5° |
| C4 | C11 | H112 | 119.8° | 109.4° |
| C11 | C4 | C5 | 109.9° | 109.5° |
| C11 | C4 | C3 | 109.4° | 109.5° |
| C11 | C4 | H4 | 109.2° | 109.5° |
| H111 | C11 | H112 | 90.3° | 109.5° |
| C5 | C4 | C3 | 109.2° | 109.5° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C4 | C5 | H51 | 120.0° | 109.5° |
| C4 | C5 | H52 | 120.0° | 109.5° |
| C3 | C4 | H4 | 109.8° | 109.5° |
| C4 | C3 | C7 | 90.2° | 109.4° |
| C4 | C3 | H31 | 119.9° | 109.5° |
| C4 | C3 | H32A | 119.9° | 109.4° |
| H51 | C5 | H52 | 90.0° | 109.5° |
| C7 | C3 | H31 | 119.9° | 109.5° |
| C7 | C3 | H32A | 119.9° | 109.5° |
| C3 | C7 | C2 | 35.4° | 109.5° |
| C3 | C7 | H7 | 155.6° | 109.4° |
| H31 | C3 | H32A | 90.1° | 109.5° |
| C7 | C2 | H21A | 112.2° | 109.5° |
| C7 | C2 | H22A | 112.2° | 109.4° |
| C2 | C7 | H7 | 138.2° | 109.4° |
| H21A | C2 | H22A | 98.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C5 | C2 | 125.3° | 120.0° |
| C6 | C1 | C5 | H1 | 90.6° | 120.0° |
| C6 | C1 | C2 | H1 | 164.2° | 120.0° |
| C1 | C6 | C9 | H61 | 125.3° | 120.1° |
| C1 | C6 | C9 | H62 | 125.2° | 120.0° |
| C1 | C6 | H61 | H62 | 117.9° | 119.9° |
| C1 | C6 | C9 | N10 | 179.0° | 180.0° |
| C1 | C6 | C9 | C8 | 59.0° | 60.0° |
| C1 | C6 | C9 | C11 | 89.2° | 60.0° |
| C6 | C1 | C5 | C4 | 124.6° | 60.0° |
| C6 | C1 | C5 | H51 | 0.7° | 60.0° |
| C6 | C1 | C5 | H52 | 110.2° | 180.0° |
| C6 | C1 | C2 | C7 | 60.0° | 60.0° |
| C6 | C1 | C2 | H21A | 65.3° | 180.0° |
| C6 | C1 | C2 | H22A | 174.7° | 59.9° |
| C5 | C1 | C2 | H1 | 165.2° | 120.0° |
| C5 | C1 | C6 | C9 | 120.7° | 60.0° |
| C5 | C1 | C6 | H61 | 114.0° | 60.0° |
| C5 | C1 | C6 | H62 | 4.5° | 180.0° |
| C1 | C5 | C4 | C11 | 89.5° | 60.0° |
| C1 | C5 | C4 | H51 | 125.3° | 120.0° |
| C1 | C5 | C4 | H52 | 125.3° | 120.0° |
| C1 | C5 | C4 | C3 | 30.5° | 60.0° |
| C1 | C5 | C4 | H4 | 150.7° | 180.0° |
| C1 | C5 | H51 | H52 | 125.3° | 120.0° |
| C5 | C1 | C2 | C7 | 90.6° | 60.0° |
| C5 | C1 | C2 | H21A | 34.7° | 60.0° |
| C5 | C1 | C2 | H22A | 144.1° | 180.0° |
| C2 | C1 | C6 | C9 | 60.4° | 60.0° |
| C2 | C1 | C6 | H61 | 174.3° | 179.9° |
| C2 | C1 | C6 | H62 | 64.8° | 60.0° |
| C1 | C2 | C7 | C8 | 59.8° | 60.0° |
| C2 | C1 | C5 | C4 | 0.7° | 60.0° |
| C2 | C1 | C5 | H51 | 125.9° | 180.0° |
| C2 | C1 | C5 | H52 | 124.6° | 60.0° |
| C1 | C2 | C7 | C3 | 120.3° | 60.0° |
| C1 | C2 | C7 | H21A | 125.3° | 120.0° |
| C1 | C2 | C7 | H22A | 125.3° | 120.0° |
| C1 | C2 | H21A | H22A | 118.1° | 120.1° |
| C1 | C2 | C7 | H7 | 97.9° | 180.0° |
| H1 | C1 | C6 | C9 | 97.1° | 179.9° |
| H1 | C1 | C6 | H61 | 28.2° | 60.0° |
| H1 | C1 | C6 | H62 | 137.7° | 60.0° |
| H1 | C1 | C5 | C4 | 144.8° | 180.0° |
| H1 | C1 | C5 | H51 | 89.9° | 60.0° |
| H1 | C1 | C5 | H52 | 19.6° | 60.0° |
| H1 | C1 | C2 | C7 | 104.2° | 180.0° |
| H1 | C1 | C2 | H21A | 130.5° | 60.0° |
| H1 | C1 | C2 | H22A | 21.1° | 60.0° |
| C9 | C6 | H61 | H62 | 117.9° | 120.0° |
| C6 | C9 | N10 | C8 | 119.6° | 120.0° |
| C6 | C9 | N10 | C11 | 89.8° | 120.0° |
| C6 | C9 | C8 | C11 | 61.0° | 120.0° |
| C6 | C9 | N10 | C12 | 179.7° | 179.9° |
| C6 | C9 | N10 | H10 | 55.0° | 0.0° |
| C6 | C9 | C8 | C7 | 59.3° | 60.0° |
| C6 | C9 | C8 | H81 | 175.4° | 60.1° |
| C6 | C9 | C8 | H82 | 65.9° | 180.0° |
| C6 | C9 | C11 | C4 | 0.6° | 60.0° |
| C6 | C9 | C11 | H111 | 124.6° | 180.0° |
| C6 | C9 | C11 | H112 | 125.9° | 60.0° |
| H61 | C6 | C9 | N10 | 53.7° | 60.0° |
| H61 | C6 | C9 | C8 | 175.7° | 180.0° |
| H61 | C6 | C9 | C11 | 145.6° | 60.0° |
| H62 | C6 | C9 | N10 | 55.7° | 60.0° |
| H62 | C6 | C9 | C8 | 66.2° | 60.0° |
| H62 | C6 | C9 | C11 | 36.1° | 180.0° |
| N10 | C9 | C8 | C11 | 60.0° | 120.0° |
| C9 | N10 | C12 | H10 | 125.3° | 179.9° |
| C9 | N10 | C12 | O17 | 1.4° | 0.0° |
| C9 | N10 | C12 | N13 | 178.1° | 180.0° |
| N10 | C9 | C8 | C7 | 179.6° | 180.0° |
| N10 | C9 | C8 | H81 | 54.3° | 59.9° |
| N10 | C9 | C8 | H82 | 55.1° | 60.0° |
| N10 | C9 | C11 | C4 | 109.6° | 180.0° |
| N10 | C9 | C11 | H111 | 125.2° | 60.0° |
| N10 | C9 | C11 | H112 | 15.7° | 60.1° |
| C8 | C9 | N10 | C12 | 60.1° | 60.1° |
| C8 | C9 | N10 | H10 | 174.6° | 120.0° |
| C9 | C8 | C7 | H81 | 125.2° | 120.1° |
| C9 | C8 | C7 | H82 | 125.3° | 119.9° |
| C9 | C8 | H81 | H82 | 117.7° | 119.9° |
| C8 | C9 | C11 | C4 | 124.2° | 60.0° |
| C8 | C9 | C11 | H111 | 1.1° | 60.0° |
| C8 | C9 | C11 | H112 | 110.6° | 179.9° |
| C9 | C8 | C7 | C3 | 90.6° | 60.0° |
| C9 | C8 | C7 | C2 | 60.3° | 60.1° |
| C9 | C8 | C7 | H7 | 104.1° | 180.0° |
| C11 | C9 | N10 | C12 | 89.9° | 60.0° |
| C11 | C9 | N10 | H10 | 144.8° | 120.0° |
| C11 | C9 | C8 | C7 | 120.4° | 59.9° |
| C11 | C9 | C8 | H81 | 114.4° | 180.0° |
| C11 | C9 | C8 | H82 | 4.9° | 60.0° |
| C9 | C11 | C4 | H111 | 125.3° | 120.0° |
| C9 | C11 | C4 | H112 | 125.3° | 120.0° |
| C9 | C11 | H111 | H112 | 125.1° | 120.1° |
| C9 | C11 | C4 | C5 | 29.3° | 60.0° |
| C9 | C11 | C4 | C3 | 90.6° | 60.0° |
| C9 | C11 | C4 | H4 | 149.2° | 180.0° |
| N10 | C12 | O17 | N13 | 176.7° | 180.0° |
| N10 | C12 | N13 | C14 | 173.2° | 179.9° |
| N10 | C12 | N13 | H13 | 6.8° | 0.1° |
| H10 | N10 | C12 | O17 | 126.6° | 180.0° |
| H10 | N10 | C12 | N13 | 56.6° | 0.1° |
| O17 | C12 | N13 | C14 | 3.6° | 0.1° |
| O17 | C12 | N13 | H13 | 176.5° | 180.0° |
| C12 | N13 | C14 | H13 | 180.0° | 180.0° |
| C12 | N13 | C14 | C26 | 66.2° | 150.0° |
| C12 | N13 | C14 | C15 | 178.2° | 90.0° |
| C12 | N13 | C14 | H14 | 57.7° | 29.9° |
| N13 | C14 | C26 | C15 | 117.2° | 120.0° |
| N13 | C14 | C26 | H14 | 122.5° | 120.1° |
| N13 | C14 | C15 | H14 | 123.2° | 119.9° |
| N13 | C14 | C26 | O31 | 43.0° | 0.1° |
| N13 | C14 | C26 | N27 | 136.6° | 180.0° |
| N13 | C14 | C15 | C16 | 66.2° | 59.9° |
| N13 | C14 | C15 | H151 | 59.1° | 60.1° |
| N13 | C14 | C15 | H152 | 168.6° | 180.0° |
| H13 | N13 | C14 | C26 | 113.7° | 30.0° |
| H13 | N13 | C14 | C15 | 1.8° | 90.0° |
| H13 | N13 | C14 | H14 | 122.3° | 150.1° |
| C26 | C14 | C15 | H14 | 124.4° | 120.0° |
| C14 | C26 | O31 | N27 | 179.7° | 179.9° |
| C14 | C26 | N27 | C28 | 1.2° | 180.0° |
| C14 | C26 | N27 | H27 | 178.8° | 0.1° |
| C26 | C14 | C15 | C16 | 178.6° | 180.0° |
| C26 | C14 | C15 | H151 | 53.3° | 60.0° |
| C26 | C14 | C15 | H152 | 56.2° | 59.9° |
| C15 | C14 | C26 | O31 | 74.1° | 120.1° |
| C15 | C14 | C26 | N27 | 106.3° | 60.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.2° | 120.1° |
| C14 | C15 | H151 | H152 | 115.2° | 120.0° |
| C14 | C15 | C16 | C22 | 44.6° | 90.0° |
| C14 | C15 | C16 | C18 | 135.4° | 89.7° |
| H14 | C14 | C26 | O31 | 165.6° | 120.0° |
| H14 | C14 | C26 | N27 | 14.0° | 59.9° |
| H14 | C14 | C15 | C16 | 57.0° | 60.0° |
| H14 | C14 | C15 | H151 | 177.7° | 180.0° |
| H14 | C14 | C15 | H152 | 68.2° | 60.1° |
| O31 | C26 | N27 | C28 | 179.2° | 0.1° |
| O31 | C26 | N27 | H27 | 0.7° | 180.0° |
| C26 | N27 | C28 | H27 | 180.0° | 179.9° |
| C26 | N27 | C28 | C29 | 116.3° | 180.0° |
| C26 | N27 | C28 | H281 | 118.5° | 60.1° |
| C26 | N27 | C28 | H282 | 9.0° | 59.9° |
| N27 | C28 | C29 | H281 | 125.3° | 120.0° |
| N27 | C28 | C29 | H282 | 125.2° | 120.0° |
| N27 | C28 | H281 | H282 | 116.1° | 120.0° |
| N27 | C28 | C29 | C30 | 26.5° | 180.0° |
| N27 | C28 | C29 | H291 | 98.8° | 60.1° |
| N27 | C28 | C29 | H292 | 151.8° | 60.0° |
| H27 | N27 | C28 | C29 | 63.7° | 0.1° |
| H27 | N27 | C28 | H281 | 61.5° | 120.1° |
| H27 | N27 | C28 | H282 | 171.0° | 119.9° |
| C29 | C28 | H281 | H282 | 116.1° | 120.0° |
| C28 | C29 | C30 | H291 | 125.3° | 119.9° |
| C28 | C29 | C30 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H292 | 116.2° | 120.0° |
| C28 | C29 | C30 | C36 | 74.3° | 90.0° |
| C28 | C29 | C30 | C32 | 104.5° | 90.3° |
| H281 | C28 | C29 | C30 | 151.8° | 60.0° |
| H281 | C28 | C29 | H291 | 26.5° | 180.0° |
| H281 | C28 | C29 | H292 | 82.9° | 60.0° |
| H282 | C28 | C29 | C30 | 98.7° | 60.0° |
| H282 | C28 | C29 | H291 | 136.0° | 60.0° |
| H282 | C28 | C29 | H292 | 26.5° | 180.0° |
| C30 | C29 | H291 | H292 | 116.2° | 120.1° |
| C29 | C30 | C36 | C32 | 178.7° | 179.6° |
| C29 | C30 | C36 | C35 | 178.8° | 180.0° |
| C29 | C30 | C36 | H36 | 1.2° | 0.1° |
| C29 | C30 | C32 | C33 | 178.9° | 179.8° |
| C29 | C30 | C32 | H32 | 1.1° | 0.3° |
| H291 | C29 | C30 | C36 | 51.0° | 29.9° |
| H291 | C29 | C30 | C32 | 130.3° | 149.7° |
| H292 | C29 | C30 | C36 | 160.4° | 150.0° |
| H292 | C29 | C30 | C32 | 20.8° | 29.7° |
| C30 | C36 | C35 | H36 | 180.0° | 179.9° |
| C30 | C36 | C35 | C34 | 0.0° | 0.1° |
| C30 | C36 | C35 | H35 | 180.0° | 179.9° |
| C36 | C30 | C32 | C33 | 0.1° | 0.5° |
| C36 | C30 | C32 | H32 | 179.9° | 179.9° |
| C32 | C30 | C36 | C35 | 0.0° | 0.3° |
| C32 | C30 | C36 | H36 | 180.0° | 179.7° |
| C30 | C32 | C33 | C34 | 0.1° | 0.4° |
| C30 | C32 | C33 | H32 | 180.0° | 179.5° |
| C30 | C32 | C33 | H33 | 179.9° | 179.6° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.0° |
| C36 | C35 | C34 | H34 | 179.9° | 180.0° |
| H36 | C36 | C35 | C34 | 180.0° | 180.0° |
| H36 | C36 | C35 | H35 | 0.1° | 0.0° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.1° | 0.2° |
| C35 | C34 | C33 | H33 | 179.9° | 179.9° |
| H35 | C35 | C34 | C33 | 179.9° | 180.0° |
| H35 | C35 | C34 | H34 | 0.1° | 0.0° |
| C34 | C33 | C32 | H33 | 180.0° | 179.9° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| H34 | C34 | C33 | C32 | 179.9° | 179.8° |
| H34 | C34 | C33 | H33 | 0.1° | 0.1° |
| H33 | C33 | C32 | H32 | 0.1° | 0.1° |
| C16 | C15 | H151 | H152 | 115.2° | 120.0° |
| C15 | C16 | C22 | C18 | 180.0° | 179.7° |
| C15 | C16 | C22 | C21 | 179.8° | 180.0° |
| C15 | C16 | C22 | H22 | 0.2° | 0.0° |
| C15 | C16 | C18 | C19 | 179.9° | 179.7° |
| C15 | C16 | C18 | H18 | 0.1° | 0.3° |
| H151 | C15 | C16 | C22 | 169.9° | 150.0° |
| H151 | C15 | C16 | C18 | 10.1° | 30.3° |
| H152 | C15 | C16 | C22 | 80.6° | 30.1° |
| H152 | C15 | C16 | C18 | 99.4° | 150.2° |
| C16 | C22 | C21 | H22 | 180.0° | 180.0° |
| C16 | C22 | C21 | C20 | 0.1° | 0.0° |
| C16 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C16 | C18 | C19 | 0.1° | 0.6° |
| C22 | C16 | C18 | H18 | 179.9° | 180.0° |
| C18 | C16 | C22 | C21 | 0.2° | 0.3° |
| C18 | C16 | C22 | H22 | 179.8° | 179.7° |
| C16 | C18 | C19 | C20 | 0.1° | 0.6° |
| C16 | C18 | C19 | C23 | 179.8° | 179.7° |
| C16 | C18 | C19 | H18 | 180.0° | 179.4° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C22 | C21 | C20 | H20 | 179.9° | 179.9° |
| H22 | C22 | C21 | C20 | 179.9° | 180.0° |
| H22 | C22 | C21 | H21 | 0.1° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C23 | 179.8° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.3° |
| H21 | C21 | C20 | C19 | 179.9° | 180.0° |
| H21 | C21 | C20 | H20 | 0.1° | 0.0° |
| C20 | C19 | C23 | C18 | 179.9° | 179.7° |
| C20 | C19 | C23 | N25 | 168.8° | 0.0° |
| C20 | C19 | C23 | N24 | 10.5° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| H20 | C20 | C19 | C23 | 0.3° | 0.0° |
| H20 | C20 | C19 | C18 | 179.8° | 179.8° |
| C19 | C23 | N25 | N24 | 179.3° | 180.0° |
| C19 | C23 | N25 | H251 | 54.7° | 180.0° |
| C19 | C23 | N25 | H252 | 180.0° | 0.3° |
| C19 | C23 | N24 | H24 | 98.9° | 0.0° |
| C23 | C19 | C18 | H18 | 0.1° | 0.3° |
| C18 | C19 | C23 | N25 | 11.1° | 179.7° |
| C18 | C19 | C23 | N24 | 169.6° | 0.3° |
| C23 | N25 | H251 | H252 | 130.8° | 179.7° |
| N25 | C23 | N24 | H24 | 81.8° | 180.0° |
| N24 | C23 | N25 | H251 | 126.0° | 0.0° |
| N24 | C23 | N25 | H252 | 0.7° | 179.7° |
| C7 | C8 | H81 | H82 | 117.8° | 120.0° |
| C8 | C7 | C3 | C4 | 0.1° | 60.0° |
| C8 | C7 | C3 | C2 | 124.9° | 120.0° |
| C8 | C7 | C3 | H7 | 144.6° | 120.0° |
| C8 | C7 | C3 | H31 | 125.2° | 60.0° |
| C8 | C7 | C3 | H32A | 125.3° | 179.9° |
| C8 | C7 | C2 | H7 | 157.7° | 120.0° |
| C8 | C7 | C2 | H21A | 65.5° | 180.0° |
| C8 | C7 | C2 | H22A | 175.0° | 60.0° |
| H81 | C8 | C7 | C3 | 144.2° | 180.0° |
| H81 | C8 | C7 | C2 | 174.4° | 60.0° |
| H81 | C8 | C7 | H7 | 21.1° | 60.0° |
| H82 | C8 | C7 | C3 | 34.7° | 60.0° |
| H82 | C8 | C7 | C2 | 64.9° | 180.0° |
| H82 | C8 | C7 | H7 | 130.6° | 60.0° |
| C4 | C11 | H111 | H112 | 125.1° | 120.0° |
| C11 | C4 | C5 | C3 | 120.0° | 120.0° |
| C11 | C4 | C5 | H4 | 119.8° | 120.0° |
| C11 | C4 | C3 | H4 | 119.8° | 120.0° |
| C11 | C4 | C5 | H51 | 35.7° | 59.9° |
| C11 | C4 | C5 | H52 | 145.2° | 180.0° |
| C11 | C4 | C3 | C7 | 30.0° | 60.0° |
| C11 | C4 | C3 | H31 | 95.3° | 60.0° |
| C11 | C4 | C3 | H32A | 155.3° | 180.0° |
| H111 | C11 | C4 | C5 | 154.5° | 180.0° |
| H111 | C11 | C4 | C3 | 34.6° | 60.0° |
| H111 | C11 | C4 | H4 | 85.6° | 60.0° |
| H112 | C11 | C4 | C5 | 96.0° | 60.0° |
| H112 | C11 | C4 | C3 | 144.1° | 180.0° |
| H112 | C11 | C4 | H4 | 23.9° | 60.0° |
| C5 | C4 | C3 | H4 | 119.9° | 120.0° |
| C4 | C5 | H51 | H52 | 125.3° | 120.0° |
| C5 | C4 | C3 | C7 | 90.3° | 60.0° |
| C5 | C4 | C3 | H31 | 144.4° | 180.0° |
| C5 | C4 | C3 | H32A | 35.0° | 59.9° |
| C3 | C4 | C5 | H51 | 155.8° | 180.0° |
| C3 | C4 | C5 | H52 | 94.8° | 60.0° |
| C4 | C3 | C7 | H31 | 125.3° | 120.0° |
| C4 | C3 | C7 | H32A | 125.2° | 119.9° |
| C4 | C3 | H31 | H32A | 125.2° | 120.0° |
| C4 | C3 | C7 | C2 | 124.8° | 60.0° |
| C4 | C3 | C7 | H7 | 144.7° | 180.0° |
| H4 | C4 | C5 | H51 | 84.1° | 60.0° |
| H4 | C4 | C5 | H52 | 25.4° | 60.0° |
| H4 | C4 | C3 | C7 | 149.8° | 180.0° |
| H4 | C4 | C3 | H31 | 24.5° | 60.0° |
| H4 | C4 | C3 | H32A | 84.9° | 60.0° |
| C7 | C3 | H31 | H32A | 125.2° | 120.1° |
| C3 | C7 | C2 | H7 | 141.8° | 120.0° |
| C3 | C7 | C2 | H21A | 5.0° | 60.0° |
| C3 | C7 | C2 | H22A | 114.4° | 180.0° |
| H31 | C3 | C7 | C2 | 110.0° | 180.0° |
| H31 | C3 | C7 | H7 | 19.4° | 60.0° |
| H32A | C3 | C7 | C2 | 0.5° | 59.9° |
| H32A | C3 | C7 | H7 | 90.1° | 60.1° |
| C7 | C2 | H21A | H22A | 118.1° | 119.9° |
| H21A | C2 | C7 | H7 | 136.8° | 60.0° |
| H22A | C2 | C7 | H7 | 27.4° | 60.0° |
