A1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C23 | doub | 1.23Å | 1.23Å | |
| C23 | C26 | sing | 1.47Å | 1.50Å | |
| C23 | N22 | sing | 1.40Å | 1.33Å | |
| C26 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | N29 | sing | 1.34Å | 1.36Å | Aromatic |
| C30 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.09Å | 1.08Å | |
| C36 | C38 | sing | 1.49Å | 1.52Å | |
| C36 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | C40 | sing | 1.54Å | 1.52Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C38 | H382 | sing | 1.10Å | 1.10Å | |
| C40 | C43 | sing | 1.53Å | 1.52Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C43 | C46 | sing | 1.53Å | 1.52Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C46 | C48 | sing | 1.52Å | 1.52Å | |
| C46 | H461 | sing | 1.10Å | 1.10Å | |
| C46 | H462 | sing | 1.10Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C33 | N29 | doub | 1.35Å | 1.35Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| N22 | C21 | sing | 1.47Å | 1.47Å | |
| N22 | C24 | sing | 1.44Å | 1.48Å | |
| C24 | C28 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| C28 | C32 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C32 | N35 | sing | 1.47Å | 1.46Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| N35 | C37 | sing | 1.46Å | 1.47Å | |
| N35 | C31 | sing | 1.47Å | 1.46Å | |
| C37 | C39 | sing | 1.50Å | 1.51Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C39 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | N41 | sing | 1.35Å | 1.36Å | Aromatic |
| C42 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | doub | 1.39Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.09Å | 1.08Å | |
| C47 | C44 | sing | 1.39Å | 1.40Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C44 | N41 | doub | 1.35Å | 1.35Å | Aromatic |
| C44 | H44 | sing | 1.09Å | 1.08Å | |
| C31 | C27 | sing | 1.53Å | 1.53Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C21 | C20 | sing | 1.50Å | 1.51Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C19 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C17 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C15 | C14 | sing | 1.45Å | 1.49Å | Aromatic |
| C14 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C7 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C12 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C8 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C4 | C2 | sing | 1.47Å | 1.51Å | |
| C2 | O1 | doub | 1.23Å | 1.22Å | |
| C2 | N3 | sing | 1.40Å | 1.34Å | |
| N3 | C5 | sing | 1.46Å | 1.47Å | |
| N3 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C10 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C10 | C13 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C13 | C9 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C9 | C5 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C23 | C26 | 115.5° | 116.2° |
| O25 | C23 | N22 | 120.6° | 125.0° |
| C26 | C23 | N22 | 123.9° | 118.7° |
| C23 | C26 | C30 | 118.0° | 119.6° |
| C23 | C26 | N29 | 120.7° | 115.0° |
| C23 | N22 | C21 | 127.9° | 124.2° |
| C23 | N22 | C24 | 115.6° | 119.8° |
| C30 | C26 | N29 | 121.2° | 125.4° |
| C26 | C30 | C34 | 119.2° | 117.3° |
| C26 | C30 | H30 | 120.4° | 122.3° |
| C26 | N29 | C33 | 120.7° | 115.6° |
| C34 | C30 | H30 | 120.4° | 120.4° |
| C30 | C34 | C36 | 118.5° | 119.7° |
| C30 | C34 | H34 | 120.7° | 119.7° |
| C36 | C34 | H34 | 120.8° | 120.6° |
| C34 | C36 | C38 | 119.1° | 121.0° |
| C34 | C36 | C33 | 120.4° | 117.9° |
| C38 | C36 | C33 | 120.5° | 121.1° |
| C36 | C38 | C40 | 110.3° | 113.8° |
| C36 | C38 | H381 | 109.2° | 110.5° |
| C36 | C38 | H382 | 109.0° | 108.5° |
| C36 | C33 | N29 | 119.9° | 124.0° |
| C36 | C33 | H33 | 120.1° | 121.2° |
| C40 | C38 | H381 | 109.2° | 109.5° |
| C40 | C38 | H382 | 109.0° | 108.5° |
| C38 | C40 | C43 | 109.3° | 113.1° |
| C38 | C40 | H401 | 109.5° | 110.2° |
| C38 | C40 | H402 | 109.6° | 108.4° |
| H381 | C38 | H382 | 110.1° | 105.6° |
| C43 | C40 | H401 | 109.5° | 109.5° |
| C43 | C40 | H402 | 109.6° | 108.8° |
| C40 | C43 | C46 | 110.1° | 111.2° |
| C40 | C43 | H431 | 109.3° | 110.0° |
| C40 | C43 | H432 | 109.1° | 109.5° |
| H401 | C40 | H402 | 109.4° | 106.6° |
| C46 | C43 | H431 | 109.3° | 109.2° |
| C46 | C43 | H432 | 109.1° | 109.6° |
| C43 | C46 | C48 | 110.5° | 111.4° |
| C43 | C46 | H461 | 109.1° | 109.8° |
| C43 | C46 | H462 | 108.9° | 109.9° |
| H431 | C43 | H432 | 110.0° | 107.3° |
| C48 | C46 | H461 | 109.1° | 109.2° |
| C48 | C46 | H462 | 108.9° | 109.1° |
| C46 | C48 | H481 | 109.5° | 111.0° |
| C46 | C48 | H482 | 109.5° | 110.2° |
| C46 | C48 | H483 | 109.4° | 111.0° |
| H461 | C46 | H462 | 110.3° | 107.2° |
| H481 | C48 | H482 | 109.4° | 108.1° |
| H481 | C48 | H483 | 109.5° | 108.3° |
| H482 | C48 | H483 | 109.5° | 108.1° |
| N29 | C33 | H33 | 120.0° | 114.8° |
| C21 | N22 | C24 | 116.4° | 116.1° |
| N22 | C21 | C20 | 117.4° | 112.0° |
| N22 | C21 | H211 | 106.9° | 107.9° |
| N22 | C21 | H212 | 105.1° | 107.8° |
| N22 | C24 | C28 | 112.6° | 111.1° |
| N22 | C24 | C27 | 109.1° | 110.9° |
| N22 | C24 | H24 | 107.8° | 106.1° |
| C28 | C24 | C27 | 110.1° | 110.2° |
| C28 | C24 | H24 | 106.8° | 109.2° |
| C24 | C28 | C32 | 108.1° | 111.3° |
| C24 | C28 | H281 | 109.9° | 110.0° |
| C24 | C28 | H282 | 110.2° | 109.9° |
| C27 | C24 | H24 | 110.4° | 109.2° |
| C24 | C27 | C31 | 109.5° | 111.3° |
| C24 | C27 | H271 | 109.5° | 110.0° |
| C24 | C27 | H272 | 109.4° | 110.0° |
| C32 | C28 | H281 | 109.9° | 109.6° |
| C32 | C28 | H282 | 110.2° | 109.6° |
| C28 | C32 | N35 | 105.4° | 111.1° |
| C28 | C32 | H321 | 110.8° | 108.3° |
| C28 | C32 | H322 | 111.7° | 109.7° |
| H281 | C28 | H282 | 108.4° | 106.3° |
| N35 | C32 | H321 | 110.8° | 109.5° |
| N35 | C32 | H322 | 111.7° | 110.7° |
| C32 | N35 | C37 | 112.3° | 110.5° |
| C32 | N35 | C31 | 115.2° | 111.2° |
| H321 | C32 | H322 | 106.4° | 107.3° |
| C37 | N35 | C31 | 115.9° | 110.5° |
| N35 | C37 | C39 | 115.5° | 112.0° |
| N35 | C37 | H371 | 107.5° | 108.0° |
| N35 | C37 | H372 | 106.1° | 107.8° |
| N35 | C31 | C27 | 106.8° | 111.1° |
| N35 | C31 | H311 | 110.3° | 110.7° |
| N35 | C31 | H312 | 111.0° | 109.5° |
| C39 | C37 | H371 | 107.5° | 110.6° |
| C39 | C37 | H372 | 106.1° | 111.0° |
| C37 | C39 | C42 | 119.4° | 119.0° |
| C37 | C39 | N41 | 120.0° | 116.2° |
| H371 | C37 | H372 | 114.4° | 107.3° |
| C42 | C39 | N41 | 120.6° | 124.7° |
| C39 | C42 | C45 | 119.5° | 117.6° |
| C39 | C42 | H42 | 120.3° | 122.0° |
| C39 | N41 | C44 | 121.1° | 116.0° |
| C45 | C42 | H42 | 120.3° | 120.4° |
| C42 | C45 | C47 | 118.8° | 119.7° |
| C42 | C45 | H45 | 120.6° | 120.1° |
| C47 | C45 | H45 | 120.6° | 120.1° |
| C45 | C47 | C44 | 119.9° | 117.9° |
| C45 | C47 | H47 | 120.0° | 121.0° |
| C44 | C47 | H47 | 120.1° | 121.1° |
| C47 | C44 | N41 | 120.1° | 124.1° |
| C47 | C44 | H44 | 120.0° | 120.8° |
| N41 | C44 | H44 | 120.0° | 115.1° |
| C27 | C31 | H311 | 110.4° | 109.7° |
| C27 | C31 | H312 | 110.9° | 108.4° |
| C31 | C27 | H271 | 109.4° | 109.5° |
| C31 | C27 | H272 | 109.4° | 109.6° |
| H311 | C31 | H312 | 107.4° | 107.3° |
| H271 | C27 | H272 | 109.5° | 106.3° |
| C20 | C21 | H211 | 106.9° | 110.6° |
| C20 | C21 | H212 | 105.1° | 111.0° |
| C21 | C20 | C19 | 115.6° | 119.6° |
| C21 | C20 | C18 | 124.8° | 119.7° |
| H211 | C21 | H212 | 115.9° | 107.3° |
| C19 | C20 | C18 | 119.6° | 120.7° |
| C20 | C19 | C17 | 120.1° | 119.6° |
| C20 | C19 | H19 | 120.0° | 120.9° |
| C20 | C18 | C16 | 120.3° | 119.7° |
| C20 | C18 | H18 | 119.9° | 120.8° |
| C16 | C18 | H18 | 119.8° | 119.5° |
| C18 | C16 | C15 | 119.7° | 120.0° |
| C18 | C16 | H16 | 120.1° | 119.2° |
| C15 | C16 | H16 | 120.1° | 120.8° |
| C16 | C15 | C17 | 119.6° | 120.0° |
| C16 | C15 | C14 | 124.8° | 120.0° |
| C17 | C19 | H19 | 119.9° | 119.5° |
| C19 | C17 | C15 | 120.7° | 120.0° |
| C19 | C17 | H17 | 119.6° | 119.1° |
| C15 | C17 | H17 | 119.6° | 120.9° |
| C17 | C15 | C14 | 115.5° | 120.0° |
| C15 | C14 | C11 | 118.1° | 120.0° |
| C15 | C14 | C12 | 122.1° | 120.1° |
| C11 | C14 | C12 | 119.6° | 120.0° |
| C14 | C11 | C7 | 121.1° | 120.0° |
| C14 | C11 | H11 | 119.4° | 120.9° |
| C14 | C12 | C8 | 119.5° | 120.0° |
| C14 | C12 | H12 | 120.3° | 120.8° |
| C7 | C11 | H11 | 119.4° | 119.1° |
| C11 | C7 | C4 | 119.7° | 120.0° |
| C11 | C7 | H7 | 120.1° | 119.4° |
| C4 | C7 | H7 | 120.1° | 120.6° |
| C7 | C4 | C8 | 119.6° | 120.0° |
| C7 | C4 | C2 | 120.2° | 120.0° |
| C8 | C12 | H12 | 120.3° | 119.2° |
| C12 | C8 | C4 | 120.5° | 120.0° |
| C12 | C8 | H8 | 119.8° | 119.4° |
| C4 | C8 | H8 | 119.7° | 120.6° |
| C8 | C4 | C2 | 120.2° | 120.1° |
| C4 | C2 | O1 | 117.0° | 116.2° |
| C4 | C2 | N3 | 123.5° | 118.1° |
| O1 | C2 | N3 | 119.5° | 125.7° |
| C2 | N3 | C5 | 120.8° | 119.7° |
| C2 | N3 | C6 | 124.4° | 125.6° |
| C5 | N3 | C6 | 114.8° | 114.7° |
| N3 | C5 | C9 | 107.0° | 110.7° |
| N3 | C5 | H51 | 110.3° | 107.5° |
| N3 | C5 | H52 | 110.9° | 110.8° |
| N3 | C6 | C10 | 104.5° | 110.5° |
| N3 | C6 | H61 | 111.2° | 111.3° |
| N3 | C6 | H62 | 112.2° | 107.3° |
| C10 | C6 | H61 | 111.2° | 109.8° |
| C10 | C6 | H62 | 112.2° | 110.5° |
| C6 | C10 | C13 | 109.6° | 111.1° |
| C6 | C10 | H101 | 109.5° | 109.4° |
| C6 | C10 | H102 | 109.4° | 109.9° |
| H61 | C6 | H62 | 105.7° | 107.4° |
| C13 | C10 | H101 | 109.4° | 109.1° |
| C13 | C10 | H102 | 109.4° | 109.9° |
| C10 | C13 | C9 | 110.5° | 111.2° |
| C10 | C13 | H131 | 109.1° | 109.4° |
| C10 | C13 | H132 | 108.9° | 109.8° |
| H101 | C10 | H102 | 109.5° | 107.3° |
| C9 | C13 | H131 | 109.1° | 109.4° |
| C9 | C13 | H132 | 108.9° | 109.9° |
| C13 | C9 | C5 | 112.0° | 111.3° |
| C13 | C9 | H91 | 108.6° | 109.9° |
| C13 | C9 | H92 | 108.1° | 108.9° |
| H131 | C13 | H132 | 110.3° | 107.0° |
| C5 | C9 | H91 | 108.6° | 110.0° |
| C5 | C9 | H92 | 108.1° | 109.3° |
| C9 | C5 | H51 | 110.3° | 110.6° |
| C9 | C5 | H52 | 110.8° | 109.7° |
| H91 | C9 | H92 | 111.5° | 107.3° |
| H51 | C5 | H52 | 107.5° | 107.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C23 | C26 | N22 | 179.5° | 179.2° |
| O25 | C23 | C26 | C30 | 76.3° | 0.8° |
| O25 | C23 | C26 | N29 | 100.5° | 179.2° |
| O25 | C23 | N22 | C21 | 175.7° | 0.1° |
| O25 | C23 | N22 | C24 | 0.9° | 180.0° |
| C23 | C26 | C30 | N29 | 176.8° | 180.0° |
| C23 | C26 | C30 | C34 | 178.6° | 180.0° |
| C23 | C26 | C30 | H30 | 1.4° | 0.1° |
| C23 | C26 | N29 | C33 | 178.8° | 180.0° |
| C26 | C23 | N22 | C21 | 3.8° | 179.1° |
| C26 | C23 | N22 | C24 | 179.7° | 0.8° |
| N22 | C23 | C26 | C30 | 104.2° | 180.0° |
| N22 | C23 | C26 | N29 | 79.0° | 0.0° |
| C23 | N22 | C21 | C24 | 176.5° | 179.9° |
| C23 | N22 | C24 | C28 | 131.7° | 118.6° |
| C23 | N22 | C24 | C27 | 105.8° | 118.5° |
| C23 | N22 | C24 | H24 | 14.2° | 0.0° |
| C23 | N22 | C21 | C20 | 97.4° | 90.0° |
| C23 | N22 | C21 | H211 | 22.5° | 32.0° |
| C23 | N22 | C21 | H212 | 146.3° | 147.6° |
| C26 | C30 | C34 | H30 | 180.0° | 179.9° |
| C26 | C30 | C34 | C36 | 0.9° | 0.1° |
| C26 | C30 | C34 | H34 | 179.0° | 179.9° |
| C30 | C26 | N29 | C33 | 2.1° | 0.1° |
| N29 | C26 | C30 | C34 | 1.8° | 0.1° |
| N29 | C26 | C30 | H30 | 178.2° | 180.0° |
| C26 | N29 | C33 | C36 | 1.4° | 0.1° |
| C26 | N29 | C33 | H33 | 178.6° | 179.9° |
| C30 | C34 | C36 | H34 | 180.0° | 180.0° |
| C30 | C34 | C36 | C38 | 179.9° | 180.0° |
| C30 | C34 | C36 | C33 | 0.3° | 0.1° |
| H30 | C30 | C34 | C36 | 179.1° | 180.0° |
| H30 | C30 | C34 | H34 | 0.9° | 0.0° |
| C34 | C36 | C38 | C33 | 179.6° | 179.9° |
| C34 | C36 | C38 | C40 | 90.5° | 89.9° |
| C34 | C36 | C38 | H381 | 29.5° | 33.8° |
| C34 | C36 | C38 | H382 | 149.9° | 149.2° |
| C34 | C36 | C33 | N29 | 0.6° | 0.1° |
| C34 | C36 | C33 | H33 | 179.4° | 180.0° |
| H34 | C34 | C36 | C38 | 0.1° | 0.0° |
| H34 | C34 | C36 | C33 | 179.6° | 179.9° |
| C36 | C38 | C40 | H381 | 120.0° | 124.2° |
| C36 | C38 | C40 | H382 | 119.7° | 120.9° |
| C36 | C38 | H381 | H382 | 119.7° | 117.2° |
| C36 | C38 | C40 | C43 | 176.3° | 177.0° |
| C36 | C38 | C40 | H401 | 56.4° | 60.0° |
| C36 | C38 | C40 | H402 | 63.6° | 56.3° |
| C38 | C36 | C33 | N29 | 179.9° | 180.0° |
| C38 | C36 | C33 | H33 | 0.1° | 0.1° |
| C33 | C36 | C38 | C40 | 89.1° | 90.0° |
| C33 | C36 | C38 | H381 | 150.9° | 146.3° |
| C33 | C36 | C38 | H382 | 30.6° | 31.0° |
| C36 | C33 | N29 | H33 | 180.0° | 179.9° |
| C40 | C38 | H381 | H382 | 119.6° | 116.7° |
| C38 | C40 | C43 | H401 | 120.0° | 123.3° |
| C38 | C40 | C43 | H402 | 120.1° | 120.5° |
| C38 | C40 | H401 | H402 | 120.1° | 117.4° |
| C38 | C40 | C43 | C46 | 179.9° | 179.0° |
| C38 | C40 | C43 | H431 | 60.0° | 60.0° |
| C38 | C40 | C43 | H432 | 60.2° | 57.7° |
| H381 | C38 | C40 | C43 | 63.7° | 58.7° |
| H381 | C38 | C40 | H401 | 176.4° | 64.2° |
| H381 | C38 | C40 | H402 | 56.4° | 179.4° |
| H382 | C38 | C40 | C43 | 56.7° | 56.1° |
| H382 | C38 | C40 | H401 | 63.3° | 179.1° |
| H382 | C38 | C40 | H402 | 176.7° | 64.6° |
| C43 | C40 | H401 | H402 | 120.1° | 117.5° |
| C40 | C43 | C46 | H431 | 120.0° | 121.6° |
| C40 | C43 | C46 | H432 | 119.7° | 121.2° |
| C40 | C43 | H431 | H432 | 119.8° | 119.1° |
| C40 | C43 | C46 | C48 | 169.0° | 178.4° |
| C40 | C43 | C46 | H461 | 71.0° | 60.5° |
| C40 | C43 | C46 | H462 | 49.4° | 57.3° |
| H401 | C40 | C43 | C46 | 59.9° | 57.7° |
| H401 | C40 | C43 | H431 | 180.0° | 63.4° |
| H401 | C40 | C43 | H432 | 59.8° | 179.0° |
| H402 | C40 | C43 | C46 | 60.0° | 58.5° |
| H402 | C40 | C43 | H431 | 60.0° | 179.6° |
| H402 | C40 | C43 | H432 | 179.7° | 62.8° |
| C46 | C43 | H431 | H432 | 119.7° | 118.6° |
| C43 | C46 | C48 | H461 | 120.0° | 121.5° |
| C43 | C46 | C48 | H462 | 119.6° | 121.6° |
| C43 | C46 | H461 | H462 | 119.6° | 119.4° |
| C43 | C46 | C48 | H481 | 2.8° | 60.3° |
| C43 | C46 | C48 | H482 | 117.2° | 180.0° |
| C43 | C46 | C48 | H483 | 122.8° | 60.2° |
| H431 | C43 | C46 | C48 | 49.0° | 60.0° |
| H431 | C43 | C46 | H461 | 169.0° | 61.1° |
| H431 | C43 | C46 | H462 | 70.6° | 178.9° |
| H432 | C43 | C46 | C48 | 71.2° | 57.2° |
| H432 | C43 | C46 | H461 | 48.7° | 178.3° |
| H432 | C43 | C46 | H462 | 169.2° | 63.9° |
| C48 | C46 | H461 | H462 | 119.6° | 118.1° |
| C46 | C48 | H481 | H482 | 120.0° | 121.0° |
| C46 | C48 | H481 | H483 | 120.0° | 122.1° |
| C46 | C48 | H482 | H483 | 120.0° | 121.5° |
| H461 | C46 | C48 | H481 | 117.2° | 178.2° |
| H461 | C46 | C48 | H482 | 122.8° | 58.5° |
| H461 | C46 | C48 | H483 | 2.8° | 61.3° |
| H462 | C46 | C48 | H481 | 122.3° | 61.3° |
| H462 | C46 | C48 | H482 | 2.4° | 58.4° |
| H462 | C46 | C48 | H483 | 117.6° | 178.2° |
| H481 | C48 | H482 | H483 | 120.0° | 117.0° |
| C21 | N22 | C24 | C28 | 51.3° | 61.5° |
| C21 | N22 | C24 | C27 | 71.2° | 61.4° |
| C21 | N22 | C24 | H24 | 168.8° | 179.9° |
| N22 | C21 | C20 | H211 | 120.0° | 120.4° |
| N22 | C21 | C20 | H212 | 116.3° | 120.5° |
| N22 | C21 | H211 | H212 | 116.7° | 115.9° |
| N22 | C21 | C20 | C19 | 156.7° | 90.0° |
| N22 | C21 | C20 | C18 | 23.8° | 90.0° |
| N22 | C24 | C28 | C27 | 122.0° | 123.3° |
| N22 | C24 | C28 | H24 | 118.1° | 116.7° |
| N22 | C24 | C27 | H24 | 118.3° | 116.6° |
| N22 | C24 | C28 | C32 | 177.6° | 175.8° |
| N22 | C24 | C28 | H281 | 62.4° | 62.5° |
| N22 | C24 | C28 | H282 | 57.1° | 54.2° |
| N22 | C24 | C27 | C31 | 178.1° | 175.9° |
| N22 | C24 | C27 | H271 | 58.1° | 54.3° |
| N22 | C24 | C27 | H272 | 61.9° | 62.5° |
| C24 | N22 | C21 | C20 | 86.0° | 90.1° |
| C24 | N22 | C21 | H211 | 154.0° | 147.9° |
| C24 | N22 | C21 | H212 | 30.3° | 32.3° |
| C28 | C24 | C27 | H24 | 117.6° | 120.0° |
| C24 | C28 | C32 | H281 | 120.0° | 121.9° |
| C24 | C28 | C32 | H282 | 120.5° | 121.8° |
| C24 | C28 | H281 | H282 | 120.6° | 119.0° |
| C24 | C28 | C32 | N35 | 60.9° | 56.1° |
| C24 | C28 | C32 | H321 | 179.1° | 176.4° |
| C24 | C28 | C32 | H322 | 60.6° | 66.8° |
| C28 | C24 | C27 | C31 | 57.8° | 52.5° |
| C28 | C24 | C27 | H271 | 177.8° | 69.1° |
| C28 | C24 | C27 | H272 | 62.2° | 174.1° |
| C27 | C24 | C28 | C32 | 60.4° | 52.5° |
| C27 | C24 | C28 | H281 | 59.6° | 174.2° |
| C27 | C24 | C28 | H282 | 179.1° | 69.1° |
| C24 | C27 | C31 | N35 | 55.7° | 56.0° |
| C24 | C27 | C31 | H271 | 120.0° | 121.8° |
| C24 | C27 | C31 | H272 | 120.0° | 121.9° |
| C24 | C27 | C31 | H311 | 64.3° | 66.8° |
| C24 | C27 | C31 | H312 | 176.8° | 176.4° |
| C24 | C27 | H271 | H272 | 120.0° | 119.0° |
| H24 | C24 | C28 | C32 | 59.5° | 67.5° |
| H24 | C24 | C28 | H281 | 179.5° | 54.2° |
| H24 | C24 | C28 | H282 | 61.0° | 170.9° |
| H24 | C24 | C27 | C31 | 59.8° | 67.5° |
| H24 | C24 | C27 | H271 | 60.2° | 170.9° |
| H24 | C24 | C27 | H272 | 179.8° | 54.1° |
| C32 | C28 | H281 | H282 | 120.5° | 118.4° |
| C28 | C32 | N35 | H321 | 120.0° | 119.6° |
| C28 | C32 | N35 | H322 | 121.5° | 122.2° |
| C28 | C32 | H321 | H322 | 121.6° | 118.4° |
| C28 | C32 | N35 | C37 | 158.6° | 177.8° |
| C28 | C32 | N35 | C31 | 65.8° | 59.1° |
| H281 | C28 | C32 | N35 | 59.1° | 177.9° |
| H281 | C28 | C32 | H321 | 60.9° | 61.7° |
| H281 | C28 | C32 | H322 | 179.4° | 55.1° |
| H282 | C28 | C32 | N35 | 178.5° | 65.7° |
| H282 | C28 | C32 | H321 | 58.5° | 54.6° |
| H282 | C28 | C32 | H322 | 59.9° | 171.5° |
| N35 | C32 | H321 | H322 | 121.6° | 120.3° |
| C32 | N35 | C37 | C31 | 135.3° | 123.4° |
| C32 | N35 | C37 | C39 | 96.4° | 60.0° |
| C32 | N35 | C37 | H371 | 143.6° | 178.0° |
| C32 | N35 | C37 | H372 | 20.8° | 62.4° |
| C32 | N35 | C31 | C27 | 63.2° | 59.1° |
| C32 | N35 | C31 | H311 | 56.8° | 63.1° |
| C32 | N35 | C31 | H312 | 175.8° | 178.8° |
| H321 | C32 | N35 | C37 | 38.6° | 58.2° |
| H321 | C32 | N35 | C31 | 174.2° | 178.8° |
| H322 | C32 | N35 | C37 | 79.9° | 59.9° |
| H322 | C32 | N35 | C31 | 55.8° | 63.1° |
| N35 | C37 | C39 | H371 | 120.0° | 120.5° |
| N35 | C37 | C39 | H372 | 117.2° | 120.6° |
| N35 | C37 | H371 | H372 | 117.5° | 116.0° |
| N35 | C37 | C39 | C42 | 122.8° | 135.0° |
| N35 | C37 | C39 | N41 | 58.5° | 45.0° |
| C37 | N35 | C31 | C27 | 162.8° | 177.9° |
| C37 | N35 | C31 | H311 | 77.2° | 59.9° |
| C37 | N35 | C31 | H312 | 41.8° | 58.2° |
| C31 | N35 | C37 | C39 | 38.9° | 176.5° |
| C31 | N35 | C37 | H371 | 81.1° | 54.5° |
| C31 | N35 | C37 | H372 | 156.2° | 61.1° |
| N35 | C31 | C27 | H311 | 120.0° | 122.8° |
| N35 | C31 | C27 | H312 | 121.1° | 120.4° |
| N35 | C31 | H311 | H312 | 121.1° | 119.4° |
| N35 | C31 | C27 | H271 | 175.7° | 65.9° |
| N35 | C31 | C27 | H272 | 64.3° | 177.9° |
| C39 | C37 | H371 | H372 | 117.5° | 121.2° |
| C37 | C39 | C42 | N41 | 178.8° | 180.0° |
| C37 | C39 | C42 | C45 | 179.5° | 180.0° |
| C37 | C39 | C42 | H42 | 0.5° | 0.0° |
| C37 | C39 | N41 | C44 | 179.9° | 180.0° |
| H371 | C37 | C39 | C42 | 2.7° | 104.5° |
| H371 | C37 | C39 | N41 | 178.5° | 75.5° |
| H372 | C37 | C39 | C42 | 120.0° | 14.4° |
| H372 | C37 | C39 | N41 | 58.8° | 165.5° |
| C39 | C42 | C45 | H42 | 180.0° | 180.0° |
| C39 | C42 | C45 | C47 | 0.3° | 0.1° |
| C39 | C42 | C45 | H45 | 179.7° | 180.0° |
| C42 | C39 | N41 | C44 | 1.3° | 0.0° |
| N41 | C39 | C42 | C45 | 0.7° | 0.0° |
| N41 | C39 | C42 | H42 | 179.2° | 180.0° |
| C39 | N41 | C44 | C47 | 0.9° | 0.0° |
| C39 | N41 | C44 | H44 | 179.2° | 179.9° |
| C42 | C45 | C47 | H45 | 180.0° | 180.0° |
| C42 | C45 | C47 | C44 | 0.8° | 0.1° |
| C42 | C45 | C47 | H47 | 179.3° | 180.0° |
| H42 | C42 | C45 | C47 | 179.7° | 180.0° |
| H42 | C42 | C45 | H45 | 0.3° | 0.0° |
| C45 | C47 | C44 | H47 | 180.0° | 179.9° |
| C45 | C47 | C44 | N41 | 0.2° | 0.1° |
| C45 | C47 | C44 | H44 | 179.8° | 180.0° |
| H45 | C45 | C47 | C44 | 179.2° | 179.9° |
| H45 | C45 | C47 | H47 | 0.8° | 0.0° |
| C47 | C44 | N41 | H44 | 180.0° | 179.9° |
| H47 | C47 | C44 | N41 | 179.8° | 180.0° |
| H47 | C47 | C44 | H44 | 0.2° | 0.1° |
| C27 | C31 | H311 | H312 | 121.1° | 117.5° |
| C31 | C27 | H271 | H272 | 120.0° | 118.3° |
| H311 | C31 | C27 | H271 | 55.8° | 171.4° |
| H311 | C31 | C27 | H272 | 175.8° | 55.1° |
| H312 | C31 | C27 | H271 | 63.2° | 54.5° |
| H312 | C31 | C27 | H272 | 56.8° | 61.8° |
| C20 | C21 | H211 | H212 | 116.7° | 121.2° |
| C21 | C20 | C19 | C18 | 179.5° | 180.0° |
| C21 | C20 | C18 | C16 | 180.0° | 179.9° |
| C21 | C20 | C18 | H18 | 0.0° | 0.1° |
| C21 | C20 | C19 | C17 | 179.3° | 180.0° |
| C21 | C20 | C19 | H19 | 0.7° | 0.1° |
| H211 | C21 | C20 | C19 | 83.3° | 30.4° |
| H211 | C21 | C20 | C18 | 96.2° | 149.5° |
| H212 | C21 | C20 | C19 | 40.4° | 149.4° |
| H212 | C21 | C20 | C18 | 140.1° | 30.5° |
| C19 | C20 | C18 | C16 | 0.5° | 0.0° |
| C19 | C20 | C18 | H18 | 179.5° | 179.9° |
| C20 | C19 | C17 | H19 | 180.0° | 179.9° |
| C20 | C19 | C17 | C15 | 1.2° | 0.0° |
| C20 | C19 | C17 | H17 | 178.9° | 179.9° |
| C20 | C18 | C16 | H18 | 180.0° | 179.9° |
| C20 | C18 | C16 | C15 | 0.3° | 0.1° |
| C20 | C18 | C16 | H16 | 179.6° | 180.0° |
| C18 | C20 | C19 | C17 | 0.3° | 0.0° |
| C18 | C20 | C19 | H19 | 179.7° | 179.9° |
| C18 | C16 | C15 | H16 | 180.0° | 180.0° |
| C18 | C16 | C15 | C17 | 0.5° | 0.1° |
| C18 | C16 | C15 | C14 | 177.8° | 180.0° |
| H18 | C18 | C16 | C15 | 179.7° | 179.9° |
| H18 | C18 | C16 | H16 | 0.4° | 0.1° |
| C16 | C15 | C17 | C19 | 1.3° | 0.0° |
| C16 | C15 | C17 | C14 | 177.5° | 179.9° |
| C16 | C15 | C17 | H17 | 178.8° | 180.0° |
| C16 | C15 | C14 | C11 | 54.9° | 30.1° |
| C16 | C15 | C14 | C12 | 130.0° | 150.1° |
| H16 | C16 | C15 | C17 | 179.5° | 180.0° |
| H16 | C16 | C15 | C14 | 2.3° | 0.0° |
| C19 | C17 | C15 | H17 | 180.0° | 179.9° |
| C19 | C17 | C15 | C14 | 178.8° | 180.0° |
| H19 | C19 | C17 | C15 | 178.9° | 179.9° |
| H19 | C19 | C17 | H17 | 1.1° | 0.2° |
| C17 | C15 | C14 | C11 | 122.5° | 149.9° |
| C17 | C15 | C14 | C12 | 52.7° | 29.9° |
| H17 | C17 | C15 | C14 | 1.3° | 0.1° |
| C15 | C14 | C11 | C12 | 175.3° | 179.8° |
| C15 | C14 | C11 | C7 | 177.5° | 179.9° |
| C15 | C14 | C11 | H11 | 2.5° | 0.2° |
| C15 | C14 | C12 | C8 | 177.6° | 179.9° |
| C15 | C14 | C12 | H12 | 2.4° | 0.1° |
| C14 | C11 | C7 | H11 | 180.0° | 179.9° |
| C14 | C11 | C7 | C4 | 0.6° | 0.1° |
| C14 | C11 | C7 | H7 | 179.4° | 180.0° |
| C11 | C14 | C12 | C8 | 2.6° | 0.1° |
| C11 | C14 | C12 | H12 | 177.4° | 179.9° |
| C12 | C14 | C11 | C7 | 2.3° | 0.1° |
| C12 | C14 | C11 | H11 | 177.7° | 180.0° |
| C14 | C12 | C8 | H12 | 180.0° | 180.0° |
| C14 | C12 | C8 | C4 | 1.3° | 0.1° |
| C14 | C12 | C8 | H8 | 178.7° | 180.0° |
| C11 | C7 | C4 | H7 | 180.0° | 179.9° |
| C11 | C7 | C4 | C8 | 0.7° | 0.1° |
| C11 | C7 | C4 | C2 | 179.6° | 180.0° |
| H11 | C11 | C7 | C4 | 179.4° | 180.0° |
| H11 | C11 | C7 | H7 | 0.6° | 0.1° |
| C7 | C4 | C8 | C12 | 0.3° | 0.1° |
| C7 | C4 | C8 | C2 | 178.9° | 179.9° |
| C7 | C4 | C8 | H8 | 179.6° | 180.0° |
| C7 | C4 | C2 | O1 | 118.8° | 89.5° |
| C7 | C4 | C2 | N3 | 60.8° | 90.0° |
| H7 | C7 | C4 | C8 | 179.3° | 180.0° |
| H7 | C7 | C4 | C2 | 0.4° | 0.1° |
| C12 | C8 | C4 | H8 | 180.0° | 179.9° |
| C12 | C8 | C4 | C2 | 179.2° | 180.0° |
| H12 | C12 | C8 | C4 | 178.7° | 179.9° |
| H12 | C12 | C8 | H8 | 1.3° | 0.0° |
| C8 | C4 | C2 | O1 | 60.1° | 90.5° |
| C8 | C4 | C2 | N3 | 120.3° | 90.1° |
| H8 | C8 | C4 | C2 | 0.8° | 0.1° |
| C4 | C2 | O1 | N3 | 179.6° | 179.4° |
| C4 | C2 | N3 | C5 | 179.8° | 2.0° |
| C4 | C2 | N3 | C6 | 0.1° | 179.4° |
| O1 | C2 | N3 | C5 | 0.6° | 177.4° |
| O1 | C2 | N3 | C6 | 179.6° | 0.1° |
| C2 | N3 | C5 | C6 | 179.8° | 177.7° |
| C2 | N3 | C6 | C10 | 112.3° | 125.7° |
| C2 | N3 | C6 | H61 | 7.7° | 3.5° |
| C2 | N3 | C6 | H62 | 125.9° | 113.7° |
| C2 | N3 | C5 | C9 | 117.0° | 125.9° |
| C2 | N3 | C5 | H51 | 3.0° | 113.2° |
| C2 | N3 | C5 | H52 | 122.0° | 4.0° |
| C5 | N3 | C6 | C10 | 67.9° | 56.7° |
| C5 | N3 | C6 | H61 | 172.1° | 179.0° |
| C5 | N3 | C6 | H62 | 53.9° | 63.8° |
| N3 | C5 | C9 | C13 | 52.4° | 53.4° |
| N3 | C5 | C9 | H51 | 120.0° | 119.0° |
| N3 | C5 | C9 | H52 | 121.0° | 122.5° |
| N3 | C5 | C9 | H91 | 172.4° | 175.5° |
| N3 | C5 | C9 | H92 | 66.5° | 67.0° |
| N3 | C5 | H51 | H52 | 121.0° | 119.3° |
| N3 | C6 | C10 | H61 | 120.0° | 123.1° |
| N3 | C6 | C10 | H62 | 121.9° | 118.6° |
| N3 | C6 | H61 | H62 | 122.0° | 117.1° |
| N3 | C6 | C10 | C13 | 61.6° | 53.9° |
| N3 | C6 | C10 | H101 | 178.4° | 66.6° |
| N3 | C6 | C10 | H102 | 58.3° | 175.8° |
| C6 | N3 | C5 | C9 | 63.2° | 56.4° |
| C6 | N3 | C5 | H51 | 176.8° | 64.5° |
| C6 | N3 | C5 | H52 | 57.8° | 178.3° |
| C10 | C6 | H61 | H62 | 122.0° | 120.2° |
| C6 | C10 | C13 | H101 | 120.0° | 120.7° |
| C6 | C10 | C13 | H102 | 120.0° | 121.8° |
| C6 | C10 | H101 | H102 | 120.0° | 119.2° |
| C6 | C10 | C13 | C9 | 57.1° | 53.3° |
| C6 | C10 | C13 | H131 | 62.9° | 67.6° |
| C6 | C10 | C13 | H132 | 176.6° | 175.2° |
| H61 | C6 | C10 | C13 | 178.4° | 177.0° |
| H61 | C6 | C10 | H101 | 58.3° | 56.5° |
| H61 | C6 | C10 | H102 | 61.7° | 61.1° |
| H62 | C6 | C10 | C13 | 60.2° | 64.7° |
| H62 | C6 | C10 | H101 | 59.8° | 174.8° |
| H62 | C6 | C10 | H102 | 179.8° | 57.2° |
| C13 | C10 | H101 | H102 | 119.9° | 119.1° |
| C10 | C13 | C9 | H131 | 120.0° | 120.9° |
| C10 | C13 | C9 | H132 | 119.6° | 121.8° |
| C10 | C13 | H131 | H132 | 119.6° | 119.0° |
| C10 | C13 | C9 | C5 | 52.2° | 53.0° |
| C10 | C13 | C9 | H91 | 172.2° | 175.1° |
| C10 | C13 | C9 | H92 | 66.7° | 67.6° |
| H101 | C10 | C13 | C9 | 177.1° | 67.5° |
| H101 | C10 | C13 | H131 | 57.1° | 171.6° |
| H101 | C10 | C13 | H132 | 63.3° | 54.4° |
| H102 | C10 | C13 | C9 | 62.9° | 175.1° |
| H102 | C10 | C13 | H131 | 177.1° | 54.2° |
| H102 | C10 | C13 | H132 | 56.7° | 63.0° |
| C9 | C13 | H131 | H132 | 119.6° | 119.0° |
| C13 | C9 | C5 | H91 | 120.0° | 122.1° |
| C13 | C9 | C5 | H92 | 118.9° | 120.4° |
| C13 | C9 | H91 | H92 | 119.0° | 118.3° |
| C13 | C9 | C5 | H51 | 172.5° | 65.6° |
| C13 | C9 | C5 | H52 | 68.6° | 176.0° |
| H131 | C13 | C9 | C5 | 67.8° | 67.9° |
| H131 | C13 | C9 | H91 | 52.2° | 54.2° |
| H131 | C13 | C9 | H92 | 173.3° | 171.5° |
| H132 | C13 | C9 | C5 | 171.8° | 174.8° |
| H132 | C13 | C9 | H91 | 68.2° | 63.1° |
| H132 | C13 | C9 | H92 | 52.8° | 54.2° |
| C5 | C9 | H91 | H92 | 119.0° | 118.8° |
| C9 | C5 | H51 | H52 | 121.0° | 119.8° |
| H91 | C9 | C5 | H51 | 67.6° | 56.5° |
| H91 | C9 | C5 | H52 | 51.4° | 62.0° |
| H92 | C9 | C5 | H51 | 53.5° | 174.0° |
| H92 | C9 | C5 | H52 | 172.5° | 55.6° |
