3MR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | C33 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.35Å | 1.37Å | |
| C3 | C5 | sing | 1.51Å | 1.51Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | N15 | sing | 1.47Å | 1.47Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | C14 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N15 | C31 | sing | 1.38Å | 1.42Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | O20 | sing | 1.36Å | 1.38Å | |
| O20 | C21 | sing | 1.36Å | 1.37Å | |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.36Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | N30 | sing | 1.37Å | 1.40Å | |
| N30 | C31 | doub | 1.31Å | 1.36Å | |
| C31 | N32 | sing | 1.37Å | 1.38Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| N32 | H322 | sing | 0.97Å | 1.00Å | |
| C33 | C38 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | H11 | 109.5° | 109.5° |
| N2 | C1 | H12 | 109.5° | 109.4° |
| N2 | C1 | H13 | 109.4° | 109.5° |
| C1 | N2 | C33 | 120.2° | 120.0° |
| C1 | N2 | C3 | 117.4° | 120.0° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| C33 | N2 | C3 | 122.4° | 120.0° |
| N2 | C33 | C38 | 112.8° | 109.4° |
| N2 | C33 | C34 | 109.7° | 109.5° |
| N2 | C33 | H33 | 106.4° | 109.5° |
| N2 | C3 | C5 | 120.2° | 120.0° |
| N2 | C3 | O4 | 120.6° | 120.0° |
| C5 | C3 | O4 | 119.3° | 120.0° |
| C3 | C5 | C6 | 114.5° | 109.5° |
| C3 | C5 | H51 | 107.8° | 109.5° |
| C3 | C5 | H52 | 106.7° | 109.4° |
| C6 | C5 | H51 | 107.8° | 109.5° |
| C6 | C5 | H52 | 106.7° | 109.4° |
| C5 | C6 | C7 | 104.5° | 109.5° |
| C5 | C6 | H61 | 111.1° | 109.5° |
| C5 | C6 | H62 | 112.2° | 109.5° |
| H51 | C5 | H52 | 113.5° | 109.5° |
| C7 | C6 | H61 | 111.1° | 109.5° |
| C7 | C6 | H62 | 112.2° | 109.4° |
| C6 | C7 | N15 | 111.7° | 109.4° |
| C6 | C7 | C9 | 108.1° | 109.5° |
| C6 | C7 | H7 | 108.3° | 109.4° |
| H61 | C6 | H62 | 105.7° | 109.4° |
| N15 | C7 | C9 | 107.7° | 109.5° |
| N15 | C7 | H7 | 108.8° | 109.5° |
| C7 | N15 | C31 | 127.0° | 120.7° |
| C7 | N15 | C16 | 114.7° | 120.7° |
| C9 | C7 | H7 | 112.3° | 109.5° |
| C7 | C9 | C14 | 111.1° | 109.4° |
| C7 | C9 | C10 | 105.0° | 109.5° |
| C7 | C9 | H9 | 110.8° | 109.5° |
| C14 | C9 | C10 | 107.8° | 109.5° |
| C14 | C9 | H9 | 108.2° | 109.5° |
| C9 | C14 | C13 | 106.9° | 109.5° |
| C9 | C14 | H141 | 110.4° | 109.5° |
| C9 | C14 | H142 | 110.9° | 109.5° |
| C10 | C9 | H9 | 113.9° | 109.5° |
| C9 | C10 | C11 | 112.7° | 109.5° |
| C9 | C10 | H101 | 108.4° | 109.5° |
| C9 | C10 | H102 | 107.7° | 109.5° |
| C11 | C10 | H101 | 108.4° | 109.5° |
| C11 | C10 | H102 | 107.7° | 109.4° |
| C10 | C11 | C12 | 110.5° | 109.5° |
| C10 | C11 | H111 | 109.1° | 109.4° |
| C10 | C11 | H112 | 108.9° | 109.5° |
| H101 | C10 | H102 | 112.0° | 109.5° |
| C12 | C11 | H111 | 109.1° | 109.4° |
| C12 | C11 | H112 | 108.9° | 109.5° |
| C11 | C12 | C13 | 107.2° | 109.5° |
| C11 | C12 | H121 | 110.2° | 109.5° |
| C11 | C12 | H122 | 110.7° | 109.4° |
| H111 | C11 | H112 | 110.3° | 109.5° |
| C13 | C12 | H121 | 110.2° | 109.5° |
| C13 | C12 | H122 | 110.7° | 109.5° |
| C12 | C13 | C14 | 111.2° | 109.5° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C12 | C13 | H132 | 108.5° | 109.5° |
| H121 | C12 | H122 | 107.8° | 109.5° |
| C14 | C13 | H131 | 108.9° | 109.5° |
| C14 | C13 | H132 | 108.5° | 109.5° |
| C13 | C14 | H141 | 110.3° | 109.5° |
| C13 | C14 | H142 | 110.9° | 109.5° |
| H131 | C13 | H132 | 110.8° | 109.5° |
| H141 | C14 | H142 | 107.5° | 109.4° |
| C31 | N15 | C16 | 118.2° | 118.6° |
| N15 | C31 | N30 | 121.2° | 120.2° |
| N15 | C31 | N32 | 118.3° | 119.8° |
| N15 | C16 | C17 | 107.3° | 107.8° |
| N15 | C16 | H161 | 110.2° | 109.8° |
| N15 | C16 | H162 | 110.7° | 109.8° |
| C17 | C16 | H161 | 110.2° | 109.8° |
| C17 | C16 | H162 | 110.7° | 109.8° |
| C16 | C17 | C29 | 117.7° | 119.1° |
| C16 | C17 | C18 | 119.7° | 120.7° |
| H161 | C16 | H162 | 107.8° | 109.8° |
| C29 | C17 | C18 | 122.5° | 120.3° |
| C17 | C29 | C28 | 116.0° | 119.6° |
| C17 | C29 | N30 | 121.6° | 120.1° |
| C17 | C18 | C19 | 119.8° | 119.9° |
| C17 | C18 | H18 | 120.1° | 120.1° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C19 | C27 | 117.4° | 120.2° |
| C18 | C19 | O20 | 123.1° | 119.9° |
| C27 | C19 | O20 | 119.2° | 119.9° |
| C19 | C27 | C28 | 122.7° | 120.2° |
| C19 | C27 | H27 | 118.7° | 119.9° |
| C19 | O20 | C21 | 118.9° | 118.0° |
| O20 | C21 | C22 | 121.5° | 120.0° |
| O20 | C21 | C26 | 119.3° | 120.1° |
| C22 | C21 | C26 | 119.3° | 119.8° |
| C21 | C22 | C23 | 120.4° | 119.9° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C21 | C26 | C25 | 118.9° | 120.0° |
| C21 | C26 | H26 | 120.5° | 120.0° |
| C23 | C22 | H22 | 119.8° | 120.1° |
| C22 | C23 | C24 | 120.9° | 120.1° |
| C22 | C23 | H23 | 119.6° | 119.9° |
| C24 | C23 | H23 | 119.6° | 120.0° |
| C23 | C24 | C25 | 118.0° | 120.1° |
| C23 | C24 | H24 | 121.0° | 119.9° |
| C25 | C24 | H24 | 121.0° | 119.9° |
| C24 | C25 | C26 | 122.5° | 120.0° |
| C24 | C25 | H25 | 118.8° | 119.9° |
| C26 | C25 | H25 | 118.8° | 120.0° |
| C25 | C26 | H26 | 120.6° | 120.0° |
| C28 | C27 | H27 | 118.7° | 119.9° |
| C27 | C28 | C29 | 121.5° | 119.9° |
| C27 | C28 | H28 | 119.2° | 120.1° |
| C29 | C28 | H28 | 119.2° | 120.0° |
| C28 | C29 | N30 | 122.3° | 120.4° |
| C29 | N30 | C31 | 116.0° | 121.1° |
| N30 | C31 | N32 | 120.4° | 120.0° |
| C31 | N32 | H321 | 109.2° | 119.9° |
| C31 | N32 | H322 | 125.4° | 120.0° |
| H321 | N32 | H322 | 125.4° | 120.0° |
| C38 | C33 | C34 | 107.2° | 109.5° |
| C38 | C33 | H33 | 108.9° | 109.4° |
| C33 | C38 | C37 | 110.8° | 109.5° |
| C33 | C38 | H381 | 109.0° | 109.4° |
| C33 | C38 | H382 | 108.7° | 109.5° |
| C34 | C33 | H33 | 112.0° | 109.5° |
| C33 | C34 | C35 | 104.6° | 109.5° |
| C33 | C34 | H341 | 111.1° | 109.4° |
| C33 | C34 | H342 | 112.2° | 109.4° |
| C35 | C34 | H341 | 111.1° | 109.5° |
| C35 | C34 | H342 | 112.2° | 109.5° |
| C34 | C35 | C36 | 102.9° | 109.5° |
| C34 | C35 | H351 | 111.7° | 109.5° |
| C34 | C35 | H352 | 113.1° | 109.5° |
| H341 | C34 | H342 | 105.8° | 109.5° |
| C36 | C35 | H351 | 111.7° | 109.5° |
| C36 | C35 | H352 | 113.1° | 109.5° |
| C35 | C36 | C37 | 107.3° | 109.5° |
| C35 | C36 | H361 | 110.2° | 109.5° |
| C35 | C36 | H362 | 110.7° | 109.4° |
| H351 | C35 | H352 | 104.5° | 109.5° |
| C37 | C36 | H361 | 110.2° | 109.5° |
| C37 | C36 | H362 | 110.7° | 109.4° |
| C36 | C37 | C38 | 104.3° | 109.5° |
| C36 | C37 | H371 | 111.2° | 109.5° |
| C36 | C37 | H372 | 112.3° | 109.5° |
| H361 | C36 | H362 | 107.8° | 109.5° |
| C38 | C37 | H371 | 111.2° | 109.4° |
| C38 | C37 | H372 | 112.3° | 109.5° |
| C37 | C38 | H381 | 109.1° | 109.4° |
| C37 | C38 | H382 | 108.7° | 109.5° |
| H371 | C37 | H372 | 105.6° | 109.5° |
| H381 | C38 | H382 | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | H11 | H12 | 120.0° | 119.9° |
| N2 | C1 | H11 | H13 | 120.0° | 120.1° |
| N2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | N2 | C33 | C3 | 177.3° | 179.9° |
| C1 | N2 | C3 | C5 | 178.7° | 0.1° |
| C1 | N2 | C3 | O4 | 1.0° | 180.0° |
| C1 | N2 | C33 | C38 | 124.9° | 60.1° |
| C1 | N2 | C33 | C34 | 5.5° | 59.9° |
| C1 | N2 | C33 | H33 | 115.8° | 180.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | N2 | C33 | 78.9° | 90.0° |
| H11 | C1 | N2 | C3 | 103.7° | 89.9° |
| H12 | C1 | N2 | C33 | 41.2° | 150.1° |
| H12 | C1 | N2 | C3 | 136.3° | 30.0° |
| H13 | C1 | N2 | C33 | 161.2° | 30.1° |
| H13 | C1 | N2 | C3 | 16.3° | 150.0° |
| C33 | N2 | C3 | C5 | 3.9° | 180.0° |
| C33 | N2 | C3 | O4 | 176.4° | 0.1° |
| N2 | C33 | C38 | C34 | 120.9° | 120.0° |
| N2 | C33 | C38 | H33 | 117.8° | 119.9° |
| N2 | C33 | C34 | H33 | 117.9° | 120.1° |
| N2 | C33 | C34 | C35 | 170.3° | 180.0° |
| N2 | C33 | C34 | H341 | 50.3° | 60.1° |
| N2 | C33 | C34 | H342 | 68.0° | 60.0° |
| N2 | C33 | C38 | C37 | 176.8° | 180.0° |
| N2 | C33 | C38 | H381 | 63.2° | 60.1° |
| N2 | C33 | C38 | H382 | 57.4° | 59.9° |
| N2 | C3 | C5 | O4 | 179.7° | 179.9° |
| N2 | C3 | C5 | C6 | 172.0° | 180.0° |
| N2 | C3 | C5 | H51 | 52.0° | 60.0° |
| N2 | C3 | C5 | H52 | 70.2° | 60.1° |
| C3 | N2 | C33 | C38 | 57.7° | 120.0° |
| C3 | N2 | C33 | C34 | 177.2° | 120.0° |
| C3 | N2 | C33 | H33 | 61.5° | 0.1° |
| C3 | C5 | C6 | H51 | 120.0° | 120.0° |
| C3 | C5 | C6 | H52 | 117.8° | 119.9° |
| C3 | C5 | H51 | H52 | 117.9° | 120.0° |
| C3 | C5 | C6 | C7 | 156.2° | 180.0° |
| C3 | C5 | C6 | H61 | 36.2° | 59.9° |
| C3 | C5 | C6 | H62 | 82.0° | 60.0° |
| O4 | C3 | C5 | C6 | 8.3° | 0.1° |
| O4 | C3 | C5 | H51 | 128.2° | 120.0° |
| O4 | C3 | C5 | H52 | 109.5° | 120.0° |
| C6 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | C6 | C7 | H61 | 120.0° | 120.1° |
| C5 | C6 | C7 | H62 | 121.8° | 120.0° |
| C5 | C6 | H61 | H62 | 122.0° | 120.0° |
| C5 | C6 | C7 | N15 | 47.5° | 64.9° |
| C5 | C6 | C7 | C9 | 165.8° | 175.0° |
| C5 | C6 | C7 | H7 | 72.3° | 55.0° |
| H51 | C5 | C6 | C7 | 83.9° | 60.0° |
| H51 | C5 | C6 | H61 | 156.1° | 180.0° |
| H51 | C5 | C6 | H62 | 38.0° | 60.0° |
| H52 | C5 | C6 | C7 | 38.4° | 60.1° |
| H52 | C5 | C6 | H61 | 81.6° | 60.0° |
| H52 | C5 | C6 | H62 | 160.2° | 179.9° |
| C7 | C6 | H61 | H62 | 122.0° | 119.9° |
| C6 | C7 | N15 | C9 | 118.6° | 120.0° |
| C6 | C7 | N15 | H7 | 119.5° | 119.9° |
| C6 | C7 | C9 | H7 | 119.4° | 120.0° |
| C6 | C7 | C9 | C14 | 79.8° | 64.9° |
| C6 | C7 | C9 | C10 | 163.9° | 175.1° |
| C6 | C7 | C9 | H9 | 40.5° | 55.1° |
| C6 | C7 | N15 | C31 | 106.2° | 124.1° |
| C6 | C7 | N15 | C16 | 70.1° | 55.6° |
| H61 | C6 | C7 | N15 | 167.5° | 175.0° |
| H61 | C6 | C7 | C9 | 74.2° | 55.0° |
| H61 | C6 | C7 | H7 | 47.7° | 65.0° |
| H62 | C6 | C7 | N15 | 74.4° | 55.0° |
| H62 | C6 | C7 | C9 | 44.0° | 65.0° |
| H62 | C6 | C7 | H7 | 165.9° | 175.0° |
| N15 | C7 | C9 | H7 | 119.7° | 120.0° |
| N15 | C7 | C9 | C14 | 159.3° | 175.1° |
| N15 | C7 | C9 | C10 | 43.1° | 55.1° |
| N15 | C7 | C9 | H9 | 80.4° | 64.9° |
| C7 | N15 | C31 | C16 | 176.1° | 179.8° |
| C7 | N15 | C16 | C17 | 132.4° | 138.5° |
| C7 | N15 | C16 | H161 | 107.6° | 18.9° |
| C7 | N15 | C16 | H162 | 11.5° | 101.9° |
| C7 | N15 | C31 | N30 | 155.8° | 149.0° |
| C7 | N15 | C31 | N32 | 23.9° | 30.8° |
| C7 | C9 | C14 | C10 | 114.6° | 120.0° |
| C7 | C9 | C14 | H9 | 121.8° | 120.0° |
| C7 | C9 | C10 | H9 | 121.4° | 120.0° |
| C7 | C9 | C10 | C11 | 177.5° | 180.0° |
| C7 | C9 | C10 | H101 | 62.5° | 60.0° |
| C7 | C9 | C10 | H102 | 58.9° | 60.0° |
| C7 | C9 | C14 | C13 | 175.3° | 180.0° |
| C7 | C9 | C14 | H141 | 55.3° | 60.0° |
| C7 | C9 | C14 | H142 | 63.7° | 60.0° |
| C9 | C7 | N15 | C31 | 135.3° | 115.8° |
| C9 | C7 | N15 | C16 | 48.5° | 64.4° |
| H7 | C7 | C9 | C14 | 39.6° | 55.0° |
| H7 | C7 | C9 | C10 | 76.6° | 65.0° |
| H7 | C7 | C9 | H9 | 159.9° | 175.0° |
| H7 | C7 | N15 | C31 | 13.3° | 4.2° |
| H7 | C7 | N15 | C16 | 170.4° | 175.6° |
| C14 | C9 | C10 | H9 | 120.1° | 120.0° |
| C14 | C9 | C10 | C11 | 59.0° | 60.0° |
| C14 | C9 | C10 | H101 | 179.0° | 180.0° |
| C14 | C9 | C10 | H102 | 59.7° | 59.9° |
| C9 | C14 | C13 | C12 | 65.2° | 60.0° |
| C9 | C14 | C13 | H141 | 120.0° | 120.0° |
| C9 | C14 | C13 | H142 | 121.0° | 120.0° |
| C9 | C14 | C13 | H131 | 54.8° | 60.0° |
| C9 | C14 | C13 | H132 | 175.5° | 180.0° |
| C9 | C14 | H141 | H142 | 121.1° | 120.0° |
| C9 | C10 | C11 | H101 | 120.0° | 120.1° |
| C9 | C10 | C11 | H102 | 118.6° | 120.0° |
| C9 | C10 | H101 | H102 | 118.7° | 120.0° |
| C9 | C10 | C11 | C12 | 57.3° | 59.9° |
| C9 | C10 | C11 | H111 | 62.7° | 60.0° |
| C9 | C10 | C11 | H112 | 176.9° | 180.0° |
| C10 | C9 | C14 | C13 | 60.7° | 60.0° |
| C10 | C9 | C14 | H141 | 59.3° | 60.0° |
| C10 | C9 | C14 | H142 | 178.3° | 180.0° |
| H9 | C9 | C10 | C11 | 61.1° | 60.0° |
| H9 | C9 | C10 | H101 | 58.9° | 60.0° |
| H9 | C9 | C10 | H102 | 179.7° | 180.0° |
| H9 | C9 | C14 | C13 | 62.9° | 60.0° |
| H9 | C9 | C14 | H141 | 177.1° | 180.0° |
| H9 | C9 | C14 | H142 | 58.1° | 60.0° |
| C11 | C10 | H101 | H102 | 118.7° | 119.9° |
| C10 | C11 | C12 | H111 | 120.0° | 119.9° |
| C10 | C11 | C12 | H112 | 119.6° | 120.0° |
| C10 | C11 | H111 | H112 | 119.6° | 120.0° |
| C10 | C11 | C12 | C13 | 56.2° | 60.0° |
| C10 | C11 | C12 | H121 | 176.2° | 180.0° |
| C10 | C11 | C12 | H122 | 64.7° | 60.0° |
| H101 | C10 | C11 | C12 | 177.3° | 180.0° |
| H101 | C10 | C11 | H111 | 57.3° | 60.1° |
| H101 | C10 | C11 | H112 | 63.1° | 60.0° |
| H102 | C10 | C11 | C12 | 61.3° | 60.0° |
| H102 | C10 | C11 | H111 | 178.7° | 179.9° |
| H102 | C10 | C11 | H112 | 58.3° | 60.0° |
| C12 | C11 | H111 | H112 | 119.6° | 120.0° |
| C11 | C12 | C13 | H121 | 120.0° | 120.0° |
| C11 | C12 | C13 | H122 | 120.9° | 120.0° |
| C11 | C12 | H121 | H122 | 120.9° | 120.0° |
| C11 | C12 | C13 | C14 | 62.1° | 60.0° |
| C11 | C12 | C13 | H131 | 57.9° | 60.0° |
| C11 | C12 | C13 | H132 | 178.6° | 180.0° |
| H111 | C11 | C12 | C13 | 63.8° | 60.0° |
| H111 | C11 | C12 | H121 | 56.2° | 60.1° |
| H111 | C11 | C12 | H122 | 175.4° | 179.9° |
| H112 | C11 | C12 | C13 | 175.8° | 180.0° |
| H112 | C11 | C12 | H121 | 64.2° | 60.0° |
| H112 | C11 | C12 | H122 | 54.9° | 60.0° |
| C13 | C12 | H121 | H122 | 120.9° | 120.0° |
| C12 | C13 | C14 | H131 | 120.0° | 120.0° |
| C12 | C13 | C14 | H132 | 119.3° | 120.0° |
| C12 | C13 | H131 | H132 | 119.3° | 120.0° |
| C12 | C13 | C14 | H141 | 54.8° | 60.0° |
| C12 | C13 | C14 | H142 | 173.8° | 180.0° |
| H121 | C12 | C13 | C14 | 177.9° | 180.0° |
| H121 | C12 | C13 | H131 | 62.1° | 60.0° |
| H121 | C12 | C13 | H132 | 58.6° | 60.0° |
| H122 | C12 | C13 | C14 | 58.7° | 60.0° |
| H122 | C12 | C13 | H131 | 178.8° | 180.0° |
| H122 | C12 | C13 | H132 | 60.5° | 60.0° |
| C14 | C13 | H131 | H132 | 119.3° | 120.0° |
| C13 | C14 | H141 | H142 | 121.0° | 120.0° |
| H131 | C13 | C14 | H141 | 174.8° | 180.0° |
| H131 | C13 | C14 | H142 | 66.2° | 60.0° |
| H132 | C13 | C14 | H141 | 64.5° | 60.0° |
| H132 | C13 | C14 | H142 | 54.5° | 60.0° |
| C31 | N15 | C16 | C17 | 44.2° | 41.8° |
| C31 | N15 | C16 | H161 | 75.8° | 161.3° |
| C31 | N15 | C16 | H162 | 165.0° | 77.9° |
| N15 | C31 | N30 | C29 | 15.8° | 0.3° |
| N15 | C31 | N30 | N32 | 179.7° | 179.8° |
| N15 | C31 | N32 | H321 | 0.1° | 4.5° |
| N15 | C31 | N32 | H322 | 179.9° | 175.4° |
| N15 | C16 | C17 | H161 | 120.0° | 119.6° |
| N15 | C16 | C17 | H162 | 120.8° | 119.6° |
| N15 | C16 | H161 | H162 | 120.9° | 120.8° |
| N15 | C16 | C17 | C29 | 36.1° | 26.4° |
| N15 | C16 | C17 | C18 | 145.6° | 153.6° |
| C16 | N15 | C31 | N30 | 20.3° | 31.2° |
| C16 | N15 | C31 | N32 | 160.0° | 149.0° |
| C17 | C16 | H161 | H162 | 120.9° | 120.8° |
| C16 | C17 | C29 | C18 | 178.2° | 180.0° |
| C16 | C17 | C18 | C19 | 179.2° | 179.9° |
| C16 | C17 | C18 | H18 | 0.8° | 0.0° |
| C16 | C17 | C29 | C28 | 177.6° | 179.8° |
| C16 | C17 | C29 | N30 | 4.1° | 0.2° |
| H161 | C16 | C17 | C29 | 83.9° | 145.9° |
| H161 | C16 | C17 | C18 | 94.4° | 34.1° |
| H162 | C16 | C17 | C29 | 157.0° | 93.3° |
| H162 | C16 | C17 | C18 | 24.7° | 86.7° |
| C29 | C17 | C18 | C19 | 1.0° | 0.1° |
| C29 | C17 | C18 | H18 | 179.0° | 179.9° |
| C17 | C29 | C28 | C27 | 0.4° | 0.1° |
| C17 | C29 | C28 | N30 | 178.4° | 180.0° |
| C17 | C29 | C28 | H28 | 179.6° | 179.9° |
| C17 | C29 | N30 | C31 | 23.7° | 15.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C27 | 2.8° | 0.0° |
| C17 | C18 | C19 | O20 | 176.5° | 180.0° |
| C18 | C17 | C29 | C28 | 0.7° | 0.2° |
| C18 | C17 | C29 | N30 | 177.7° | 179.8° |
| C18 | C19 | C27 | O20 | 174.0° | 180.0° |
| C18 | C19 | O20 | C21 | 93.8° | 95.9° |
| C18 | C19 | C27 | C28 | 3.1° | 0.0° |
| C18 | C19 | C27 | H27 | 176.9° | 180.0° |
| H18 | C18 | C19 | C27 | 177.2° | 180.0° |
| H18 | C18 | C19 | O20 | 3.5° | 0.0° |
| C27 | C19 | O20 | C21 | 92.6° | 84.1° |
| C19 | C27 | C28 | H27 | 180.0° | 180.0° |
| C19 | C27 | C28 | C29 | 1.5° | 0.0° |
| C19 | C27 | C28 | H28 | 178.5° | 180.0° |
| C19 | O20 | C21 | C22 | 15.6° | 178.6° |
| C19 | O20 | C21 | C26 | 164.9° | 1.6° |
| O20 | C19 | C27 | C28 | 177.0° | 180.0° |
| O20 | C19 | C27 | H27 | 3.0° | 0.0° |
| O20 | C21 | C22 | C26 | 179.5° | 179.8° |
| O20 | C21 | C22 | C23 | 179.3° | 180.0° |
| O20 | C21 | C22 | H22 | 0.7° | 0.0° |
| O20 | C21 | C26 | C25 | 180.0° | 179.7° |
| O20 | C21 | C26 | H26 | 0.0° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C21 | C22 | C23 | H23 | 179.6° | 179.9° |
| C22 | C21 | C26 | C25 | 0.5° | 0.6° |
| C22 | C21 | C26 | H26 | 179.5° | 179.7° |
| C26 | C21 | C22 | C23 | 0.2° | 0.3° |
| C26 | C21 | C22 | H22 | 179.8° | 179.8° |
| C21 | C26 | C25 | C24 | 1.0° | 0.5° |
| C21 | C26 | C25 | H26 | 180.0° | 179.7° |
| C21 | C26 | C25 | H25 | 179.0° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| H22 | C22 | C23 | C24 | 179.6° | 179.9° |
| H22 | C22 | C23 | H23 | 0.4° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.8° | 0.3° |
| C23 | C24 | C25 | H25 | 179.2° | 180.0° |
| H23 | C23 | C24 | C25 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 178.9° | 179.7° |
| H24 | C24 | C25 | C26 | 179.2° | 179.8° |
| H24 | C24 | C25 | H25 | 0.8° | 0.0° |
| H25 | C25 | C26 | H26 | 1.0° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | N30 | 177.9° | 179.8° |
| H27 | C27 | C28 | C29 | 178.5° | 180.0° |
| H27 | C27 | C28 | H28 | 1.5° | 0.0° |
| C28 | C29 | N30 | C31 | 154.6° | 164.8° |
| H28 | C28 | C29 | N30 | 2.1° | 0.1° |
| C29 | N30 | C31 | N32 | 163.9° | 179.9° |
| N30 | C31 | N32 | H321 | 179.8° | 175.3° |
| N30 | C31 | N32 | H322 | 0.2° | 4.8° |
| C31 | N32 | H321 | H322 | 180.0° | 180.0° |
| C38 | C33 | C34 | H33 | 119.4° | 119.9° |
| C38 | C33 | C34 | C35 | 67.0° | 60.0° |
| C38 | C33 | C34 | H341 | 173.0° | 179.9° |
| C38 | C33 | C34 | H342 | 54.8° | 60.0° |
| C33 | C38 | C37 | C36 | 60.2° | 59.9° |
| C33 | C38 | C37 | H381 | 120.0° | 119.9° |
| C33 | C38 | C37 | H382 | 119.4° | 120.1° |
| C33 | C38 | C37 | H371 | 59.8° | 60.1° |
| C33 | C38 | C37 | H372 | 177.9° | 180.0° |
| C33 | C38 | H381 | H382 | 119.4° | 120.0° |
| C33 | C34 | C35 | H341 | 120.0° | 119.9° |
| C33 | C34 | C35 | H342 | 121.8° | 120.0° |
| C33 | C34 | H341 | H342 | 122.0° | 120.0° |
| C33 | C34 | C35 | C36 | 72.2° | 60.0° |
| C33 | C34 | C35 | H351 | 47.8° | 60.0° |
| C33 | C34 | C35 | H352 | 165.4° | 180.0° |
| C34 | C33 | C38 | C37 | 62.3° | 60.0° |
| C34 | C33 | C38 | H381 | 57.7° | 60.0° |
| C34 | C33 | C38 | H382 | 178.2° | 180.0° |
| H33 | C33 | C34 | C35 | 52.4° | 60.0° |
| H33 | C33 | C34 | H341 | 67.6° | 60.0° |
| H33 | C33 | C34 | H342 | 174.2° | 180.0° |
| H33 | C33 | C38 | C37 | 59.0° | 60.1° |
| H33 | C33 | C38 | H381 | 179.0° | 180.0° |
| H33 | C33 | C38 | H382 | 60.4° | 60.0° |
| C35 | C34 | H341 | H342 | 122.0° | 120.1° |
| C34 | C35 | C36 | H351 | 120.0° | 120.0° |
| C34 | C35 | C36 | H352 | 122.4° | 120.0° |
| C34 | C35 | H351 | H352 | 122.6° | 120.0° |
| C34 | C35 | C36 | C37 | 73.8° | 60.0° |
| C34 | C35 | C36 | H361 | 166.2° | 180.0° |
| C34 | C35 | C36 | H362 | 47.1° | 59.9° |
| H341 | C34 | C35 | C36 | 167.8° | 179.9° |
| H341 | C34 | C35 | H351 | 72.2° | 59.9° |
| H341 | C34 | C35 | H352 | 45.4° | 60.0° |
| H342 | C34 | C35 | C36 | 49.6° | 60.0° |
| H342 | C34 | C35 | H351 | 169.6° | 180.0° |
| H342 | C34 | C35 | H352 | 72.8° | 60.0° |
| C36 | C35 | H351 | H352 | 122.7° | 120.0° |
| C35 | C36 | C37 | H361 | 120.0° | 120.1° |
| C35 | C36 | C37 | H362 | 120.8° | 119.9° |
| C35 | C36 | H361 | H362 | 120.9° | 120.0° |
| C35 | C36 | C37 | C38 | 66.1° | 59.9° |
| C35 | C36 | C37 | H371 | 53.9° | 60.0° |
| C35 | C36 | C37 | H372 | 172.0° | 180.0° |
| H351 | C35 | C36 | C37 | 46.2° | 60.0° |
| H351 | C35 | C36 | H361 | 73.8° | 60.0° |
| H351 | C35 | C36 | H362 | 167.1° | 179.9° |
| H352 | C35 | C36 | C37 | 163.9° | 180.0° |
| H352 | C35 | C36 | H361 | 43.9° | 59.9° |
| H352 | C35 | C36 | H362 | 75.3° | 60.1° |
| C37 | C36 | H361 | H362 | 120.9° | 120.0° |
| C36 | C37 | C38 | H371 | 120.0° | 120.0° |
| C36 | C37 | C38 | H372 | 121.9° | 120.1° |
| C36 | C37 | H371 | H372 | 122.1° | 120.0° |
| C36 | C37 | C38 | H381 | 59.8° | 60.0° |
| C36 | C37 | C38 | H382 | 179.6° | 180.0° |
| H361 | C36 | C37 | C38 | 173.9° | 180.0° |
| H361 | C36 | C37 | H371 | 66.1° | 60.0° |
| H361 | C36 | C37 | H372 | 52.0° | 60.0° |
| H362 | C36 | C37 | C38 | 54.8° | 60.0° |
| H362 | C36 | C37 | H371 | 174.8° | 180.0° |
| H362 | C36 | C37 | H372 | 67.1° | 60.0° |
| C38 | C37 | H371 | H372 | 122.1° | 119.9° |
| C37 | C38 | H381 | H382 | 119.5° | 120.0° |
| H371 | C37 | C38 | H381 | 179.8° | 180.0° |
| H371 | C37 | C38 | H382 | 59.6° | 60.0° |
| H372 | C37 | C38 | H381 | 62.1° | 60.0° |
| H372 | C37 | C38 | H382 | 58.5° | 59.9° |
