DCU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N23 | sing | 1.47Å | 1.60Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | N12 | sing | 1.47Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C14 | sing | 1.47Å | 1.49Å | |
| N12 | C15 | sing | 1.47Å | 1.48Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| C16 | C21 | sing | 1.37Å | 1.43Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.41Å | 1.49Å | Aromatic |
| C17 | C25 | sing | 1.47Å | 1.43Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.45Å | Aromatic |
| C18 | C22 | sing | 1.47Å | 1.44Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | N36 | sing | 1.40Å | 1.41Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | N23 | doub | 1.31Å | 1.44Å | Aromatic |
| C22 | C30 | sing | 1.48Å | 1.50Å | Aromatic |
| N23 | C24 | sing | 1.34Å | 1.43Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.48Å | Aromatic |
| C24 | C26 | sing | 1.40Å | 1.45Å | Aromatic |
| C25 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | N37 | sing | 1.40Å | 1.41Å | |
| C28 | C29 | doub | 1.36Å | 1.42Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | doub | 1.40Å | 1.44Å | Aromatic |
| C30 | C35 | sing | 1.40Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| N36 | H361 | sing | 0.97Å | 1.02Å | |
| N36 | H362 | sing | 0.97Å | 1.02Å | |
| N37 | H371 | sing | 0.97Å | 1.02Å | |
| N37 | H372 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | N23 | 138.9° | 109.5° |
| C3 | C2 | H21A | 102.2° | 109.4° |
| C3 | C2 | H22 | 102.2° | 109.5° |
| C2 | C3 | C4 | 119.5° | 109.5° |
| C2 | C3 | H31A | 108.6° | 109.5° |
| C2 | C3 | H32A | 108.6° | 109.5° |
| N23 | C2 | H21A | 102.2° | 109.5° |
| N23 | C2 | H22 | 102.2° | 109.5° |
| C2 | N23 | C22 | 125.2° | 118.4° |
| C2 | N23 | C24 | 115.6° | 118.3° |
| H21A | C2 | H22 | 105.9° | 109.5° |
| C4 | C3 | H31A | 108.6° | 109.4° |
| C4 | C3 | H32A | 108.6° | 109.5° |
| C3 | C4 | C5 | 110.8° | 109.5° |
| C3 | C4 | H41 | 111.7° | 109.5° |
| C3 | C4 | H42 | 111.7° | 109.5° |
| H31A | C3 | H32A | 101.4° | 109.5° |
| C5 | C4 | H41 | 111.7° | 109.4° |
| C5 | C4 | H42 | 111.7° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.5° |
| C4 | C5 | H51 | 110.8° | 109.5° |
| C4 | C5 | H52 | 110.8° | 109.5° |
| H41 | C4 | H42 | 98.7° | 109.5° |
| C6 | C5 | H51 | 110.8° | 109.4° |
| C6 | C5 | H52 | 110.8° | 109.5° |
| C5 | C6 | C7 | 116.9° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| H51 | C5 | H52 | 99.5° | 109.4° |
| C7 | C6 | H61 | 109.5° | 109.5° |
| C7 | C6 | H62 | 109.5° | 109.5° |
| C6 | C7 | C8 | 115.8° | 109.5° |
| C6 | C7 | H71 | 109.9° | 109.5° |
| C6 | C7 | H72 | 109.9° | 109.5° |
| H61 | C6 | H62 | 100.6° | 109.4° |
| C8 | C7 | H71 | 109.9° | 109.4° |
| C8 | C7 | H72 | 109.9° | 109.4° |
| C7 | C8 | C9 | 113.7° | 109.5° |
| C7 | C8 | H81 | 110.6° | 109.4° |
| C7 | C8 | H82 | 110.6° | 109.5° |
| H71 | C7 | H72 | 100.3° | 109.5° |
| C9 | C8 | H81 | 110.6° | 109.5° |
| C9 | C8 | H82 | 110.7° | 109.5° |
| C8 | C9 | C10 | 111.4° | 109.5° |
| C8 | C9 | H91 | 111.5° | 109.4° |
| C8 | C9 | H92 | 111.5° | 109.5° |
| H81 | C8 | H82 | 99.6° | 109.5° |
| C10 | C9 | H91 | 111.5° | 109.5° |
| C10 | C9 | H92 | 111.5° | 109.5° |
| C9 | C10 | C11 | 117.8° | 109.5° |
| C9 | C10 | H101 | 109.2° | 109.5° |
| C9 | C10 | H102 | 109.2° | 109.5° |
| H91 | C9 | H92 | 98.9° | 109.5° |
| C11 | C10 | H101 | 109.2° | 109.4° |
| C11 | C10 | H102 | 109.2° | 109.5° |
| C10 | C11 | N12 | 115.6° | 109.5° |
| C10 | C11 | H111 | 110.0° | 109.5° |
| C10 | C11 | H112 | 110.0° | 109.5° |
| H101 | C10 | H102 | 100.9° | 109.5° |
| N12 | C11 | H111 | 110.0° | 109.4° |
| N12 | C11 | H112 | 110.0° | 109.5° |
| C11 | N12 | C13 | 108.8° | 109.4° |
| C11 | N12 | C14 | 111.7° | 109.5° |
| C11 | N12 | C15 | 112.5° | 109.5° |
| H111 | C11 | H112 | 100.2° | 109.4° |
| C13 | N12 | C14 | 107.9° | 109.4° |
| C13 | N12 | C15 | 107.3° | 109.5° |
| N12 | C13 | H131 | 112.5° | 109.5° |
| N12 | C13 | H132 | 108.8° | 109.5° |
| N12 | C13 | H133 | 112.5° | 109.5° |
| C14 | N12 | C15 | 108.5° | 109.5° |
| N12 | C14 | H141 | 111.4° | 109.5° |
| N12 | C14 | H142 | 111.7° | 109.4° |
| N12 | C14 | H143 | 111.4° | 109.5° |
| N12 | C15 | H151 | 111.1° | 109.5° |
| N12 | C15 | H152 | 112.6° | 109.4° |
| N12 | C15 | H153 | 111.1° | 109.4° |
| H131 | C13 | H132 | 112.4° | 109.5° |
| H131 | C13 | H133 | 98.0° | 109.5° |
| H132 | C13 | H133 | 112.5° | 109.4° |
| H141 | C14 | H142 | 111.4° | 109.5° |
| H141 | C14 | H143 | 99.0° | 109.5° |
| H142 | C14 | H143 | 111.4° | 109.4° |
| H151 | C15 | H152 | 111.1° | 109.5° |
| H151 | C15 | H153 | 99.3° | 109.5° |
| H152 | C15 | H153 | 111.1° | 109.5° |
| C17 | C16 | C21 | 124.6° | 119.7° |
| C17 | C16 | H16 | 117.8° | 120.2° |
| C16 | C17 | C18 | 116.7° | 120.0° |
| C16 | C17 | C25 | 124.2° | 122.3° |
| C21 | C16 | H16 | 117.6° | 120.1° |
| C16 | C21 | C20 | 118.9° | 120.8° |
| C16 | C21 | H21 | 121.1° | 119.6° |
| C18 | C17 | C25 | 119.0° | 117.7° |
| C17 | C18 | C19 | 116.7° | 119.5° |
| C17 | C18 | C22 | 118.3° | 118.5° |
| C17 | C25 | C24 | 119.1° | 118.7° |
| C17 | C25 | C29 | 121.8° | 121.2° |
| C19 | C18 | C22 | 123.0° | 122.0° |
| C18 | C19 | C20 | 124.1° | 119.4° |
| C18 | C19 | H19 | 119.0° | 120.3° |
| C18 | C22 | N23 | 121.5° | 120.8° |
| C18 | C22 | C30 | 117.9° | 119.6° |
| C20 | C19 | H19 | 116.9° | 120.2° |
| C19 | C20 | C21 | 118.9° | 120.6° |
| C19 | C20 | N36 | 121.7° | 119.7° |
| C21 | C20 | N36 | 119.4° | 119.7° |
| C20 | C21 | H21 | 119.9° | 119.6° |
| C20 | N36 | H361 | 107.8° | 120.0° |
| C20 | N36 | H362 | 121.7° | 120.0° |
| N23 | C22 | C30 | 120.6° | 119.6° |
| C22 | N23 | C24 | 119.1° | 123.3° |
| C22 | C30 | C31 | 119.6° | 120.2° |
| C22 | C30 | C35 | 120.8° | 120.1° |
| N23 | C24 | C25 | 120.8° | 121.0° |
| N23 | C24 | C26 | 123.9° | 120.1° |
| C25 | C24 | C26 | 114.9° | 118.9° |
| C24 | C25 | C29 | 117.5° | 120.2° |
| C24 | C26 | C27 | 125.5° | 119.8° |
| C24 | C26 | H26 | 118.4° | 120.1° |
| C25 | C29 | C28 | 125.3° | 120.1° |
| C25 | C29 | H29 | 117.0° | 120.0° |
| C27 | C26 | H26 | 116.2° | 120.1° |
| C26 | C27 | C28 | 118.1° | 120.7° |
| C26 | C27 | N37 | 122.8° | 119.7° |
| C28 | C27 | N37 | 119.1° | 119.7° |
| C27 | C28 | C29 | 118.7° | 120.5° |
| C27 | C28 | H28 | 119.7° | 119.8° |
| C27 | N37 | H371 | 107.5° | 120.0° |
| C27 | N37 | H372 | 122.8° | 120.0° |
| C29 | C28 | H28 | 121.6° | 119.7° |
| C28 | C29 | H29 | 117.7° | 119.9° |
| C31 | C30 | C35 | 119.5° | 119.7° |
| C30 | C31 | C32 | 120.1° | 119.9° |
| C30 | C31 | H31 | 120.3° | 120.0° |
| C30 | C35 | C34 | 120.1° | 119.9° |
| C30 | C35 | H35 | 119.4° | 120.0° |
| C32 | C31 | H31 | 119.5° | 120.1° |
| C31 | C32 | C33 | 120.2° | 120.1° |
| C31 | C32 | H32 | 120.2° | 119.9° |
| C33 | C32 | H32 | 119.6° | 119.9° |
| C32 | C33 | C34 | 119.9° | 120.3° |
| C32 | C33 | H33 | 119.7° | 119.9° |
| C34 | C33 | H33 | 120.4° | 119.9° |
| C33 | C34 | C35 | 120.1° | 120.1° |
| C33 | C34 | H34 | 119.8° | 119.9° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C34 | C35 | H35 | 120.4° | 120.1° |
| H361 | N36 | H362 | 107.9° | 120.0° |
| H371 | N37 | H372 | 107.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | N23 | H21A | 125.3° | 120.0° |
| C3 | C2 | N23 | H22 | 125.3° | 120.0° |
| C3 | C2 | H21A | H22 | 106.7° | 120.0° |
| C2 | C3 | C4 | H31A | 125.3° | 120.0° |
| C2 | C3 | C4 | H32A | 125.3° | 120.0° |
| C2 | C3 | H31A | H32A | 114.3° | 120.0° |
| C2 | C3 | C4 | C5 | 64.8° | 180.0° |
| C2 | C3 | C4 | H41 | 169.9° | 60.0° |
| C2 | C3 | C4 | H42 | 60.5° | 60.0° |
| C3 | C2 | N23 | C22 | 53.5° | 94.3° |
| C3 | C2 | N23 | C24 | 129.6° | 85.4° |
| N23 | C2 | H21A | H22 | 106.7° | 120.0° |
| N23 | C2 | C3 | C4 | 146.2° | 180.0° |
| N23 | C2 | C3 | H31A | 20.9° | 60.0° |
| N23 | C2 | C3 | H32A | 88.6° | 60.0° |
| C2 | N23 | C22 | C18 | 175.2° | 179.8° |
| C2 | N23 | C22 | C24 | 176.8° | 179.7° |
| C2 | N23 | C22 | C30 | 7.1° | 0.0° |
| C2 | N23 | C24 | C25 | 175.1° | 180.0° |
| C2 | N23 | C24 | C26 | 3.0° | 0.1° |
| H21A | C2 | C3 | C4 | 20.9° | 60.0° |
| H21A | C2 | C3 | H31A | 104.4° | 180.0° |
| H21A | C2 | C3 | H32A | 146.1° | 60.0° |
| H21A | C2 | N23 | C22 | 71.8° | 25.7° |
| H21A | C2 | N23 | C24 | 105.2° | 154.6° |
| H22 | C2 | C3 | C4 | 88.6° | 60.0° |
| H22 | C2 | C3 | H31A | 146.1° | 60.0° |
| H22 | C2 | C3 | H32A | 36.7° | 180.0° |
| H22 | C2 | N23 | C22 | 178.8° | 145.7° |
| H22 | C2 | N23 | C24 | 4.3° | 34.6° |
| C4 | C3 | H31A | H32A | 114.3° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 117.6° | 120.1° |
| C3 | C4 | C5 | C6 | 102.4° | 180.0° |
| C3 | C4 | C5 | H51 | 132.3° | 60.0° |
| C3 | C4 | C5 | H52 | 22.9° | 59.9° |
| H31A | C3 | C4 | C5 | 60.5° | 60.0° |
| H31A | C3 | C4 | H41 | 64.8° | 180.0° |
| H31A | C3 | C4 | H42 | 174.3° | 60.0° |
| H32A | C3 | C4 | C5 | 169.9° | 60.0° |
| H32A | C3 | C4 | H41 | 44.7° | 59.9° |
| H32A | C3 | C4 | H42 | 64.8° | 180.0° |
| C5 | C4 | H41 | H42 | 117.6° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 116.7° | 120.0° |
| C4 | C5 | C6 | C7 | 169.0° | 180.0° |
| C4 | C5 | C6 | H61 | 65.7° | 60.0° |
| C4 | C5 | C6 | H62 | 43.8° | 59.9° |
| H41 | C4 | C5 | C6 | 22.9° | 60.0° |
| H41 | C4 | C5 | H51 | 102.4° | 180.0° |
| H41 | C4 | C5 | H52 | 148.1° | 60.0° |
| H42 | C4 | C5 | C6 | 132.4° | 60.0° |
| H42 | C4 | C5 | H51 | 7.1° | 60.0° |
| H42 | C4 | C5 | H52 | 102.4° | 180.0° |
| C6 | C5 | H51 | H52 | 116.7° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 115.3° | 119.9° |
| C5 | C6 | C7 | C8 | 175.9° | 180.0° |
| C5 | C6 | C7 | H71 | 50.6° | 60.0° |
| C5 | C6 | C7 | H72 | 58.9° | 60.1° |
| H51 | C5 | C6 | C7 | 43.8° | 60.0° |
| H51 | C5 | C6 | H61 | 169.0° | 180.0° |
| H51 | C5 | C6 | H62 | 81.5° | 60.1° |
| H52 | C5 | C6 | C7 | 65.7° | 60.0° |
| H52 | C5 | C6 | H61 | 59.6° | 60.1° |
| H52 | C5 | C6 | H62 | 169.0° | 180.0° |
| C7 | C6 | H61 | H62 | 115.3° | 120.1° |
| C6 | C7 | C8 | H71 | 125.2° | 120.0° |
| C6 | C7 | C8 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 115.7° | 120.1° |
| C6 | C7 | C8 | C9 | 144.2° | 180.0° |
| C6 | C7 | C8 | H81 | 18.9° | 60.0° |
| C6 | C7 | C8 | H82 | 90.5° | 60.0° |
| H61 | C6 | C7 | C8 | 58.9° | 60.0° |
| H61 | C6 | C7 | H71 | 175.9° | 180.0° |
| H61 | C6 | C7 | H72 | 66.4° | 59.9° |
| H62 | C6 | C7 | C8 | 50.6° | 60.0° |
| H62 | C6 | C7 | H71 | 74.7° | 59.9° |
| H62 | C6 | C7 | H72 | 175.8° | 180.0° |
| C8 | C7 | H71 | H72 | 115.7° | 119.9° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 116.5° | 120.0° |
| C7 | C8 | C9 | C10 | 141.8° | 180.0° |
| C7 | C8 | C9 | H91 | 16.6° | 60.0° |
| C7 | C8 | C9 | H92 | 92.9° | 60.0° |
| H71 | C7 | C8 | C9 | 90.6° | 60.0° |
| H71 | C7 | C8 | H81 | 144.2° | 180.0° |
| H71 | C7 | C8 | H82 | 34.7° | 60.0° |
| H72 | C7 | C8 | C9 | 19.0° | 60.0° |
| H72 | C7 | C8 | H81 | 106.3° | 60.0° |
| H72 | C7 | C8 | H82 | 144.2° | 180.0° |
| C9 | C8 | H81 | H82 | 116.5° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 117.4° | 120.0° |
| C8 | C9 | C10 | C11 | 142.6° | 180.0° |
| C8 | C9 | C10 | H101 | 17.3° | 60.0° |
| C8 | C9 | C10 | H102 | 92.2° | 60.0° |
| H81 | C8 | C9 | C10 | 92.9° | 60.0° |
| H81 | C8 | C9 | H91 | 141.8° | 180.0° |
| H81 | C8 | C9 | H92 | 32.3° | 60.0° |
| H82 | C8 | C9 | C10 | 16.5° | 60.0° |
| H82 | C8 | C9 | H91 | 108.7° | 60.0° |
| H82 | C8 | C9 | H92 | 141.8° | NaN° |
| C10 | C9 | H91 | H92 | 117.4° | 120.0° |
| C9 | C10 | C11 | H101 | 125.2° | 120.0° |
| C9 | C10 | C11 | H102 | 125.2° | 120.0° |
| C9 | C10 | H101 | H102 | 115.0° | 120.0° |
| C9 | C10 | C11 | N12 | 113.7° | 179.9° |
| C9 | C10 | C11 | H111 | 11.6° | 59.9° |
| C9 | C10 | C11 | H112 | 121.0° | 60.0° |
| H91 | C9 | C10 | C11 | 92.2° | 60.0° |
| H91 | C9 | C10 | H101 | 142.6° | 180.0° |
| H91 | C9 | C10 | H102 | 33.1° | 60.0° |
| H92 | C9 | C10 | C11 | 17.3° | 60.0° |
| H92 | C9 | C10 | H101 | 107.9° | 60.0° |
| H92 | C9 | C10 | H102 | 142.6° | 180.0° |
| C11 | C10 | H101 | H102 | 115.0° | 120.0° |
| C10 | C11 | N12 | H111 | 125.3° | 120.0° |
| C10 | C11 | N12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 115.8° | 120.0° |
| C10 | C11 | N12 | C13 | 173.0° | 60.0° |
| C10 | C11 | N12 | C14 | 68.0° | 60.0° |
| C10 | C11 | N12 | C15 | 54.3° | 180.0° |
| H101 | C10 | C11 | N12 | 121.1° | 60.0° |
| H101 | C10 | C11 | H111 | 113.6° | 180.0° |
| H101 | C10 | C11 | H112 | 4.2° | 60.1° |
| H102 | C10 | C11 | N12 | 11.5° | 60.0° |
| H102 | C10 | C11 | H111 | 136.8° | 60.0° |
| H102 | C10 | C11 | H112 | 113.7° | 180.0° |
| N12 | C11 | H111 | H112 | 115.8° | 120.0° |
| C11 | N12 | C13 | C14 | 121.4° | 120.0° |
| C11 | N12 | C13 | C15 | 122.0° | 120.0° |
| C11 | N12 | C14 | C15 | 124.6° | 120.0° |
| C11 | N12 | C13 | H131 | 54.7° | 60.0° |
| C11 | N12 | C13 | H132 | 180.0° | 60.0° |
| C11 | N12 | C13 | H133 | 54.7° | 180.0° |
| C11 | N12 | C14 | H141 | 54.8° | 180.0° |
| C11 | N12 | C14 | H142 | 180.0° | 60.0° |
| C11 | N12 | C14 | H143 | 54.7° | 59.9° |
| C11 | N12 | C15 | H151 | 54.7° | 60.0° |
| C11 | N12 | C15 | H152 | 180.0° | 60.0° |
| C11 | N12 | C15 | H153 | 54.8° | 180.0° |
| H111 | C11 | N12 | C13 | 47.8° | 180.0° |
| H111 | C11 | N12 | C14 | 166.8° | 60.1° |
| H111 | C11 | N12 | C15 | 70.9° | 60.0° |
| H112 | C11 | N12 | C13 | 61.7° | 60.0° |
| H112 | C11 | N12 | C14 | 57.3° | 180.0° |
| H112 | C11 | N12 | C15 | 179.6° | 59.9° |
| C13 | N12 | C14 | C15 | 115.9° | 120.0° |
| N12 | C13 | H131 | H132 | 123.2° | 120.0° |
| N12 | C13 | H131 | H133 | 118.4° | 120.0° |
| N12 | C13 | H132 | H133 | 125.3° | 119.9° |
| C13 | N12 | C14 | H141 | 64.7° | 60.0° |
| C13 | N12 | C14 | H142 | 60.5° | 180.0° |
| C13 | N12 | C14 | H143 | 174.2° | 60.0° |
| C13 | N12 | C15 | H151 | 174.3° | 60.0° |
| C13 | N12 | C15 | H152 | 60.4° | 180.0° |
| C13 | N12 | C15 | H153 | 64.8° | 60.0° |
| C14 | N12 | C13 | H131 | 176.1° | 60.0° |
| C14 | N12 | C13 | H132 | 58.6° | 179.9° |
| C14 | N12 | C13 | H133 | 66.6° | 60.0° |
| N12 | C14 | H141 | H142 | 125.4° | 120.0° |
| N12 | C14 | H141 | H143 | 117.3° | 120.0° |
| N12 | C14 | H142 | H143 | 125.2° | 119.9° |
| C14 | N12 | C15 | H151 | 69.4° | 179.9° |
| C14 | N12 | C15 | H152 | 55.9° | 60.0° |
| C14 | N12 | C15 | H153 | 178.9° | 60.0° |
| C15 | N12 | C13 | H131 | 67.2° | 180.0° |
| C15 | N12 | C13 | H132 | 58.0° | 59.9° |
| C15 | N12 | C13 | H133 | 176.7° | 60.0° |
| C15 | N12 | C14 | H141 | 179.4° | 60.0° |
| C15 | N12 | C14 | H142 | 55.4° | 60.1° |
| C15 | N12 | C14 | H143 | 69.9° | 180.0° |
| N12 | C15 | H151 | H152 | 126.1° | 120.0° |
| N12 | C15 | H151 | H153 | 117.0° | 120.0° |
| N12 | C15 | H152 | H153 | 125.2° | 120.0° |
| H131 | C13 | H132 | H133 | 109.5° | 120.0° |
| H141 | C14 | H142 | H143 | 109.5° | 120.0° |
| H151 | C15 | H152 | H153 | 109.5° | 120.1° |
| C17 | C16 | C21 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C25 | 178.0° | 180.0° |
| C16 | C17 | C18 | C19 | 3.1° | 0.0° |
| C16 | C17 | C18 | C22 | 161.5° | 179.8° |
| C17 | C16 | C21 | C20 | 0.4° | 0.0° |
| C17 | C16 | C21 | H21 | 179.6° | 180.0° |
| C16 | C17 | C25 | C24 | 161.6° | 180.0° |
| C16 | C17 | C25 | C29 | 3.7° | 0.0° |
| C21 | C16 | C17 | C18 | 2.2° | 0.0° |
| C21 | C16 | C17 | C25 | 179.9° | 180.0° |
| C16 | C21 | C20 | C19 | 0.4° | 0.0° |
| C16 | C21 | C20 | H21 | 180.0° | 180.0° |
| C16 | C21 | C20 | N36 | 178.5° | 180.0° |
| H16 | C16 | C17 | C18 | 177.8° | 180.0° |
| H16 | C16 | C17 | C25 | 0.2° | 0.0° |
| H16 | C16 | C21 | C20 | 179.6° | 180.0° |
| H16 | C16 | C21 | H21 | 0.4° | 0.0° |
| C17 | C18 | C19 | C22 | 163.8° | 179.8° |
| C17 | C18 | C19 | C20 | 2.5° | 0.0° |
| C17 | C18 | C19 | H19 | 177.5° | 180.0° |
| C17 | C18 | C22 | N23 | 7.5° | 0.5° |
| C17 | C18 | C22 | C30 | 174.7° | 179.7° |
| C18 | C17 | C25 | C24 | 16.3° | 0.0° |
| C18 | C17 | C25 | C29 | 178.4° | 180.0° |
| C25 | C17 | C18 | C19 | 178.9° | 180.0° |
| C25 | C17 | C18 | C22 | 16.5° | 0.2° |
| C17 | C25 | C24 | N23 | 7.2° | 0.1° |
| C17 | C25 | C24 | C29 | 165.9° | 180.0° |
| C17 | C25 | C24 | C26 | 165.6° | 180.0° |
| C17 | C25 | C29 | C28 | 165.0° | 180.0° |
| C17 | C25 | C29 | H29 | 15.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C18 | C19 | C20 | N36 | 179.6° | 180.0° |
| C19 | C18 | C22 | N23 | 171.0° | 179.7° |
| C19 | C18 | C22 | C30 | 11.2° | 0.1° |
| C22 | C18 | C19 | C20 | 161.3° | 179.8° |
| C22 | C18 | C19 | H19 | 18.7° | 0.2° |
| C18 | C22 | N23 | C30 | 177.7° | 179.8° |
| C18 | C22 | N23 | C24 | 1.6° | 0.5° |
| C18 | C22 | C30 | C31 | 90.6° | 59.7° |
| C18 | C22 | C30 | C35 | 87.1° | 120.6° |
| C19 | C20 | C21 | N36 | 178.9° | 179.9° |
| C19 | C20 | C21 | H21 | 179.6° | 180.0° |
| C19 | C20 | N36 | H361 | 54.7° | 180.0° |
| C19 | C20 | N36 | H362 | 180.0° | 0.1° |
| H19 | C19 | C20 | C21 | 179.3° | 180.0° |
| H19 | C19 | C20 | N36 | 0.4° | 0.0° |
| C21 | C20 | N36 | H361 | 124.2° | 0.1° |
| C21 | C20 | N36 | H362 | 1.1° | 180.0° |
| N36 | C20 | C21 | H21 | 1.5° | 0.1° |
| C20 | N36 | H361 | H362 | 133.1° | 179.9° |
| C22 | N23 | C24 | C25 | 2.0° | 0.3° |
| C22 | N23 | C24 | C26 | 174.1° | 179.7° |
| N23 | C22 | C30 | C31 | 91.6° | 120.5° |
| N23 | C22 | C30 | C35 | 90.7° | 59.2° |
| C30 | C22 | N23 | C24 | 176.1° | 179.6° |
| C22 | C30 | C31 | C35 | 177.7° | 179.7° |
| C22 | C30 | C31 | C32 | 177.3° | 180.0° |
| C22 | C30 | C31 | H31 | 2.7° | 0.0° |
| C22 | C30 | C35 | C34 | 177.3° | 179.7° |
| C22 | C30 | C35 | H35 | 2.7° | 0.3° |
| N23 | C24 | C25 | C26 | 172.8° | 179.9° |
| N23 | C24 | C25 | C29 | 173.1° | 180.0° |
| N23 | C24 | C26 | C27 | 172.5° | 179.9° |
| N23 | C24 | C26 | H26 | 7.5° | 0.0° |
| C25 | C24 | C26 | C27 | 0.0° | 0.0° |
| C25 | C24 | C26 | H26 | 180.0° | 179.9° |
| C24 | C25 | C29 | C28 | 0.5° | 0.0° |
| C24 | C25 | C29 | H29 | 179.5° | 179.9° |
| C26 | C24 | C25 | C29 | 0.3° | 0.0° |
| C24 | C26 | C27 | H26 | 180.0° | 180.0° |
| C24 | C26 | C27 | C28 | 0.2° | 0.0° |
| C24 | C26 | C27 | N37 | 178.9° | 180.0° |
| C25 | C29 | C28 | C27 | 0.3° | 0.0° |
| C25 | C29 | C28 | H29 | 180.0° | 180.0° |
| C25 | C29 | C28 | H28 | 179.7° | 180.0° |
| C26 | C27 | C28 | N37 | 179.1° | 179.9° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C26 | C27 | N37 | H371 | 54.8° | 0.1° |
| C26 | C27 | N37 | H372 | 180.0° | 180.0° |
| H26 | C26 | C27 | C28 | 179.8° | 180.0° |
| H26 | C26 | C27 | N37 | 1.2° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | H29 | 179.7° | 180.0° |
| C28 | C27 | N37 | H371 | 124.3° | 180.0° |
| C28 | C27 | N37 | H372 | 1.0° | 0.0° |
| N37 | C27 | C28 | C29 | 179.1° | 180.0° |
| N37 | C27 | C28 | H28 | 0.9° | 0.1° |
| C27 | N37 | H371 | H372 | 134.0° | 180.0° |
| H28 | C28 | C29 | H29 | 0.4° | 0.1° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.1° |
| C30 | C31 | C32 | H32 | 179.8° | 180.0° |
| C31 | C30 | C35 | C34 | 0.3° | 0.6° |
| C31 | C30 | C35 | H35 | 179.6° | 180.0° |
| C35 | C30 | C31 | C32 | 0.4° | 0.3° |
| C35 | C30 | C31 | H31 | 179.6° | 179.7° |
| C30 | C35 | C34 | C33 | 0.1° | 0.6° |
| C30 | C35 | C34 | H35 | 180.0° | 179.3° |
| C30 | C35 | C34 | H34 | 180.0° | 179.6° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| H31 | C31 | C32 | C33 | 179.8° | 180.0° |
| H31 | C31 | C32 | H32 | 0.2° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.2° | 0.4° |
| C32 | C33 | C34 | H34 | 179.8° | 179.9° |
| H32 | C32 | C33 | C34 | 179.9° | 180.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 179.7° |
| C33 | C34 | C35 | H35 | 179.9° | 180.0° |
| H33 | C33 | C34 | C35 | 179.8° | 179.7° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.3° |
