X83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C3 | N4 | sing | 1.47Å | 1.44Å | |
| N4 | C5 | sing | 1.35Å | 1.33Å | |
| C5 | O6 | sing | 1.35Å | 1.33Å | |
| O6 | C7 | sing | 1.45Å | 1.44Å | |
| C5 | O8 | doub | 1.21Å | 1.21Å | |
| C3 | C9 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C12 | sing | 1.53Å | 1.52Å | |
| C2 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C15 | C16 | sing | 1.56Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C16 | C20 | sing | 1.54Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | N22 | sing | 1.35Å | 1.34Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | F28 | sing | 1.40Å | 1.41Å | |
| C23 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | O30 | sing | 1.43Å | 1.42Å | |
| C29 | C31 | sing | 1.51Å | 1.53Å | |
| C31 | N32 | sing | 1.35Å | 1.33Å | |
| N32 | C33 | sing | 1.46Å | 1.45Å | |
| C31 | O34 | doub | 1.21Å | 1.23Å | |
| C21 | O35 | doub | 1.21Å | 1.23Å | |
| C20 | N13 | sing | 1.47Å | 1.46Å | |
| C19 | C15 | sing | 1.55Å | 1.53Å | |
| C7 | H7C | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12C | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27C | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 119.4° | 120.0° |
| O1 | C2 | N13 | 122.1° | 120.0° |
| C2 | C3 | N4 | 103.6° | 109.5° |
| C2 | C3 | C9 | 113.0° | 109.5° |
| C3 | C2 | N13 | 118.0° | 120.0° |
| C2 | C3 | H3 | 107.4° | 109.5° |
| C3 | N4 | C5 | 122.6° | 120.0° |
| N4 | C3 | C9 | 116.4° | 109.5° |
| N4 | C3 | H3 | 108.7° | 109.4° |
| C3 | N4 | H4 | 118.7° | 119.9° |
| N4 | C5 | O6 | 110.0° | 120.0° |
| N4 | C5 | O8 | 124.8° | 120.0° |
| C5 | N4 | H4 | 118.7° | 120.0° |
| C5 | O6 | C7 | 116.0° | 117.0° |
| O6 | C5 | O8 | 124.9° | 120.0° |
| O6 | C7 | H7C | 109.5° | 109.5° |
| O6 | C7 | H7A | 109.5° | 109.5° |
| O6 | C7 | H7B | 109.5° | 109.5° |
| C3 | C9 | C10 | 112.5° | 109.5° |
| C3 | C9 | C11 | 106.0° | 109.4° |
| C3 | C9 | C12 | 110.6° | 109.5° |
| C9 | C3 | H3 | 107.3° | 109.4° |
| C10 | C9 | C11 | 108.7° | 109.5° |
| C10 | C9 | C12 | 109.4° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C11 | C9 | C12 | 109.4° | 109.5° |
| C9 | C11 | H11A | 109.5° | 109.5° |
| C9 | C11 | H11C | 109.5° | 109.4° |
| C9 | C11 | H11B | 109.5° | 109.5° |
| C9 | C12 | H12B | 109.5° | 109.5° |
| C9 | C12 | H12A | 109.5° | 109.4° |
| C9 | C12 | H12C | 109.5° | 109.4° |
| C2 | N13 | C14 | 125.5° | 125.6° |
| C2 | N13 | C20 | 120.3° | 125.6° |
| N13 | C14 | C15 | 101.7° | 105.4° |
| C14 | N13 | C20 | 114.2° | 108.8° |
| N13 | C14 | H14B | 111.4° | 110.2° |
| N13 | C14 | H14A | 111.3° | 110.3° |
| C14 | C15 | C16 | 103.4° | 102.0° |
| C14 | C15 | C19 | 113.4° | 109.3° |
| C14 | C15 | H15 | 111.7° | 113.7° |
| C15 | C14 | H14B | 111.4° | 110.3° |
| C15 | C14 | H14A | 111.4° | 110.3° |
| C15 | C16 | C17 | 104.0° | 104.7° |
| C15 | C16 | C20 | 104.5° | 103.3° |
| C16 | C15 | C19 | 104.8° | 103.1° |
| C16 | C15 | H15 | 111.5° | 114.0° |
| C15 | C16 | H16 | 111.5° | 112.9° |
| C16 | C17 | C18 | 104.2° | 107.6° |
| C17 | C16 | C20 | 113.2° | 109.4° |
| C16 | C17 | H17B | 110.8° | 108.5° |
| C16 | C17 | H17A | 110.8° | 111.0° |
| C17 | C16 | H16 | 111.7° | 112.7° |
| C17 | C18 | C19 | 108.3° | 106.5° |
| C18 | C17 | H17B | 110.8° | 109.9° |
| C18 | C17 | H17A | 110.8° | 109.9° |
| C17 | C18 | H18B | 109.7° | 110.0° |
| C17 | C18 | H18A | 109.8° | 110.0° |
| C18 | C19 | C15 | 105.5° | 104.9° |
| C19 | C18 | H18B | 109.8° | 110.1° |
| C19 | C18 | H18A | 109.8° | 110.0° |
| C18 | C19 | H19A | 110.5° | 110.4° |
| C18 | C19 | H19B | 110.5° | 110.3° |
| C16 | C20 | C21 | 111.3° | 109.8° |
| C16 | C20 | N13 | 102.8° | 107.7° |
| C16 | C20 | H20 | 111.6° | 109.8° |
| C20 | C16 | H16 | 111.5° | 113.2° |
| C20 | C21 | N22 | 116.3° | 120.0° |
| C20 | C21 | O35 | 120.7° | 120.0° |
| C21 | C20 | N13 | 106.0° | 109.8° |
| C21 | C20 | H20 | 111.8° | 109.8° |
| C21 | N22 | C23 | 123.1° | 120.0° |
| N22 | C21 | O35 | 122.9° | 120.0° |
| C21 | N22 | H22 | 118.4° | 120.0° |
| N22 | C23 | C24 | 109.7° | 109.4° |
| N22 | C23 | C29 | 117.4° | 109.5° |
| N22 | C23 | H23 | 105.8° | 109.4° |
| C23 | N22 | H22 | 118.4° | 120.0° |
| C23 | C24 | C25 | 112.2° | 109.5° |
| C24 | C23 | C29 | 112.9° | 109.5° |
| C23 | C24 | H24B | 108.8° | 109.5° |
| C23 | C24 | H24A | 108.8° | 109.4° |
| C24 | C23 | H23 | 105.0° | 109.5° |
| C24 | C25 | C26 | 114.1° | 109.5° |
| C25 | C24 | H24B | 108.8° | 109.5° |
| C25 | C24 | H24A | 108.8° | 109.5° |
| C24 | C25 | H25A | 108.3° | 109.5° |
| C24 | C25 | H25B | 108.3° | 109.5° |
| C25 | C26 | C27 | 113.4° | 109.5° |
| C25 | C26 | F28 | 108.3° | 109.5° |
| C25 | C26 | H26 | 108.3° | 109.5° |
| C26 | C25 | H25A | 108.3° | 109.4° |
| C26 | C25 | H25B | 108.3° | 109.4° |
| C27 | C26 | F28 | 108.5° | 109.5° |
| C27 | C26 | H26 | 108.6° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.5° |
| C26 | C27 | H27B | 109.4° | 109.5° |
| C26 | C27 | H27C | 109.5° | 109.5° |
| F28 | C26 | H26 | 109.8° | 109.4° |
| C23 | C29 | O30 | 106.7° | 109.5° |
| C23 | C29 | C31 | 110.4° | 109.5° |
| C29 | C23 | H23 | 104.9° | 109.5° |
| C23 | C29 | H29 | 109.6° | 109.5° |
| O30 | C29 | C31 | 108.8° | 109.5° |
| O30 | C29 | H29 | 111.4° | 109.5° |
| C29 | O30 | H30 | 109.5° | 114.0° |
| C29 | C31 | N32 | 116.3° | 120.0° |
| C29 | C31 | O34 | 120.5° | 120.0° |
| C31 | C29 | H29 | 109.8° | 109.5° |
| C31 | N32 | C33 | 122.2° | 120.0° |
| N32 | C31 | O34 | 123.1° | 120.0° |
| C31 | N32 | H32 | 118.9° | 120.0° |
| N32 | C33 | H33A | 109.5° | 109.5° |
| N32 | C33 | H33C | 109.5° | 109.5° |
| N32 | C33 | H33B | 109.5° | 109.5° |
| C33 | N32 | H32 | 118.9° | 120.0° |
| N13 | C20 | H20 | 112.9° | 109.8° |
| C19 | C15 | H15 | 111.6° | 113.7° |
| C15 | C19 | H19A | 110.4° | 111.1° |
| C15 | C19 | H19B | 110.4° | 109.6° |
| H7C | C7 | H7A | 109.5° | 109.5° |
| H7C | C7 | H7B | 109.5° | 109.4° |
| H7A | C7 | H7B | 109.4° | 109.4° |
| H10B | C10 | H10C | 109.5° | 109.4° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H10C | C10 | H10A | 109.4° | 109.5° |
| H17B | C17 | H17A | 109.4° | 109.9° |
| H24B | C24 | H24A | 109.4° | 109.4° |
| H11A | C11 | H11C | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.4° | 109.5° |
| H11C | C11 | H11B | 109.5° | 109.4° |
| H12B | C12 | H12A | 109.5° | 109.5° |
| H12B | C12 | H12C | 109.4° | 109.5° |
| H12A | C12 | H12C | 109.5° | 109.5° |
| H14B | C14 | H14A | 109.5° | 110.2° |
| H18B | C18 | H18A | 109.5° | 110.1° |
| H19A | C19 | H19B | 109.5° | 110.4° |
| H25A | C25 | H25B | 109.4° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27C | 109.4° | 109.5° |
| H27B | C27 | H27C | 109.5° | 109.5° |
| H33A | C33 | H33C | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H33C | C33 | H33B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | N13 | 172.1° | 180.0° |
| O1 | C2 | C3 | N4 | 58.2° | 31.9° |
| O1 | C2 | C3 | C9 | 68.7° | 88.1° |
| O1 | C2 | N13 | C14 | 171.5° | 175.3° |
| O1 | C2 | N13 | C20 | 6.8° | 4.8° |
| O1 | C2 | C3 | H3 | 173.1° | 152.0° |
| C2 | C3 | N4 | C9 | 124.7° | 120.0° |
| C2 | C3 | N4 | H3 | 114.1° | 120.0° |
| C2 | C3 | N4 | C5 | 136.3° | 155.0° |
| C2 | C3 | C9 | H3 | 118.3° | 120.0° |
| C2 | C3 | C9 | C10 | 176.7° | 56.8° |
| C2 | C3 | C9 | C11 | 58.0° | 63.2° |
| C2 | C3 | C9 | C12 | 60.6° | 176.8° |
| C3 | C2 | N13 | C14 | 0.4° | 4.7° |
| C3 | C2 | N13 | C20 | 178.7° | 175.3° |
| C2 | C3 | N4 | H4 | 43.7° | 25.0° |
| C3 | N4 | C5 | H4 | 180.0° | 180.0° |
| C3 | N4 | C5 | O6 | 171.7° | 180.0° |
| C3 | N4 | C5 | O8 | 14.8° | 0.2° |
| N4 | C3 | C9 | H3 | 122.0° | 119.9° |
| N4 | C3 | C9 | C10 | 63.5° | 176.8° |
| N4 | C3 | C9 | C11 | 177.7° | 56.8° |
| N4 | C3 | C9 | C12 | 59.2° | 63.2° |
| N4 | C3 | C2 | N13 | 113.9° | 148.1° |
| N4 | C5 | O6 | O8 | 173.5° | 179.8° |
| N4 | C5 | O6 | C7 | 175.0° | 179.8° |
| C5 | N4 | C3 | C9 | 99.0° | 84.9° |
| C5 | N4 | C3 | H3 | 22.2° | 35.0° |
| C5 | O6 | C7 | H7C | 180.0° | 60.1° |
| C5 | O6 | C7 | H7A | 60.0° | 60.0° |
| C5 | O6 | C7 | H7B | 60.0° | 180.0° |
| O6 | C5 | N4 | H4 | 8.3° | 0.0° |
| C7 | O6 | C5 | O8 | 11.5° | 0.0° |
| O6 | C7 | H7C | H7A | 120.0° | 120.1° |
| O6 | C7 | H7C | H7B | 120.0° | 120.0° |
| O6 | C7 | H7A | H7B | 120.0° | 120.0° |
| O8 | C5 | N4 | H4 | 165.2° | 179.8° |
| C3 | C9 | C10 | C11 | 117.1° | 119.9° |
| C3 | C9 | C10 | C12 | 123.4° | 120.0° |
| C3 | C9 | C11 | C12 | 119.3° | 120.0° |
| C9 | C3 | C2 | N13 | 119.2° | 91.9° |
| C3 | C9 | C10 | H10B | 180.0° | 60.7° |
| C3 | C9 | C10 | H10C | 60.0° | 179.3° |
| C3 | C9 | C10 | H10A | 60.0° | 59.3° |
| C3 | C9 | C11 | H11A | 180.0° | 60.0° |
| C3 | C9 | C11 | H11C | 60.0° | 180.0° |
| C3 | C9 | C11 | H11B | 60.0° | 60.1° |
| C3 | C9 | C12 | H12B | 180.0° | 60.0° |
| C3 | C9 | C12 | H12A | 60.0° | 180.0° |
| C3 | C9 | C12 | H12C | 60.0° | 60.0° |
| C9 | C3 | N4 | H4 | 81.0° | 95.1° |
| C10 | C9 | C11 | C12 | 119.4° | 120.0° |
| C9 | C10 | H10B | H10C | 120.0° | 120.0° |
| C9 | C10 | H10B | H10A | 120.0° | 120.0° |
| C9 | C10 | H10C | H10A | 120.0° | 120.0° |
| C10 | C9 | C11 | H11A | 58.7° | 60.0° |
| C10 | C9 | C11 | H11C | 178.8° | 60.0° |
| C10 | C9 | C11 | H11B | 61.2° | 179.9° |
| C10 | C9 | C12 | H12B | 55.5° | 180.0° |
| C10 | C9 | C12 | H12A | 64.5° | 60.0° |
| C10 | C9 | C12 | H12C | 175.5° | 60.0° |
| C10 | C9 | C3 | H3 | 58.4° | 63.3° |
| C11 | C9 | C10 | H10B | 62.9° | 179.4° |
| C11 | C9 | C10 | H10C | 57.2° | 59.4° |
| C11 | C9 | C10 | H10A | 177.1° | 60.7° |
| C9 | C11 | H11A | H11C | 120.0° | 120.0° |
| C9 | C11 | H11A | H11B | 120.0° | 120.0° |
| C9 | C11 | H11C | H11B | 120.0° | 119.9° |
| C11 | C9 | C12 | H12B | 63.5° | 60.0° |
| C11 | C9 | C12 | H12A | 176.4° | 60.0° |
| C11 | C9 | C12 | H12C | 56.5° | 180.0° |
| C11 | C9 | C3 | H3 | 60.3° | 176.8° |
| C12 | C9 | C10 | H10B | 56.6° | 59.3° |
| C12 | C9 | C10 | H10C | 176.6° | 60.7° |
| C12 | C9 | C10 | H10A | 63.4° | 179.3° |
| C12 | C9 | C11 | H11A | 60.7° | 180.0° |
| C12 | C9 | C11 | H11C | 59.3° | 60.0° |
| C12 | C9 | C11 | H11B | 179.3° | 59.9° |
| C9 | C12 | H12B | H12A | 120.0° | 119.9° |
| C9 | C12 | H12B | H12C | 120.0° | 120.0° |
| C9 | C12 | H12A | H12C | 120.0° | 120.0° |
| C12 | C9 | C3 | H3 | 178.9° | 56.8° |
| C2 | N13 | C14 | C20 | 178.4° | 179.9° |
| C2 | N13 | C14 | C15 | 155.7° | 156.2° |
| C2 | N13 | C20 | C16 | 177.6° | 177.6° |
| C2 | N13 | C20 | C21 | 65.5° | 62.9° |
| C2 | N13 | C20 | H20 | 57.2° | 58.0° |
| C2 | N13 | C14 | H14B | 36.9° | 84.8° |
| C2 | N13 | C14 | H14A | 85.6° | 37.1° |
| N13 | C2 | C3 | H3 | 1.0° | 28.1° |
| N13 | C14 | C15 | H14B | 118.7° | 119.0° |
| N13 | C14 | C15 | H14A | 118.7° | 119.1° |
| N13 | C14 | C15 | C16 | 34.6° | 34.9° |
| C14 | N13 | C20 | C16 | 0.9° | 2.4° |
| C14 | N13 | C20 | C21 | 116.1° | 117.1° |
| N13 | C14 | C15 | C19 | 78.3° | 73.7° |
| N13 | C14 | C15 | H15 | 154.6° | 158.1° |
| C14 | N13 | C20 | H20 | 121.2° | 122.0° |
| N13 | C14 | H14B | H14A | 123.6° | 122.0° |
| C14 | C15 | C16 | C19 | 119.0° | 113.3° |
| C14 | C15 | C16 | H15 | 120.2° | 123.0° |
| C14 | C15 | C16 | C17 | 154.2° | 147.2° |
| C14 | C15 | C19 | C18 | 133.7° | 143.6° |
| C14 | C15 | C16 | C20 | 35.3° | 32.7° |
| C15 | C14 | N13 | C20 | 22.7° | 23.8° |
| C14 | C15 | C19 | H15 | 127.2° | 128.2° |
| C15 | C14 | H14B | H14A | 123.6° | 122.0° |
| C14 | C15 | C16 | H16 | 85.3° | 89.9° |
| C14 | C15 | C19 | H19A | 106.9° | 24.4° |
| C14 | C15 | C19 | H19B | 14.3° | 98.0° |
| C15 | C16 | C17 | C20 | 112.7° | 110.2° |
| C15 | C16 | C17 | H16 | 120.4° | 123.0° |
| C15 | C16 | C17 | C18 | 34.9° | 19.4° |
| C16 | C15 | C19 | C18 | 21.7° | 35.7° |
| C15 | C16 | C20 | H16 | 120.6° | 122.4° |
| C15 | C16 | C20 | C21 | 134.4° | 139.1° |
| C15 | C16 | C20 | N13 | 21.3° | 19.6° |
| C16 | C15 | C19 | H15 | 120.8° | 123.9° |
| C15 | C16 | C17 | H17B | 84.2° | 99.4° |
| C15 | C16 | C17 | H17A | 154.1° | 139.6° |
| C15 | C16 | C20 | H20 | 99.9° | 100.0° |
| C16 | C15 | C14 | H14B | 153.3° | 84.0° |
| C16 | C15 | C14 | H14A | 84.1° | 154.0° |
| C16 | C15 | C19 | H19A | 141.1° | 83.5° |
| C16 | C15 | C19 | H19B | 97.7° | 154.1° |
| C16 | C17 | C18 | H17B | 119.2° | 118.0° |
| C16 | C17 | C18 | H17A | 119.2° | 120.9° |
| C16 | C17 | C18 | C19 | 21.7° | 2.7° |
| C17 | C16 | C20 | H16 | 126.9° | 126.5° |
| C17 | C16 | C20 | C21 | 113.2° | 109.8° |
| C17 | C16 | C20 | N13 | 133.8° | 130.6° |
| C17 | C16 | C15 | C19 | 35.2° | 33.9° |
| C17 | C16 | C15 | H15 | 85.6° | 89.8° |
| C16 | C17 | H17B | H17A | 122.5° | 121.6° |
| C17 | C16 | C20 | H20 | 12.5° | 11.0° |
| C16 | C17 | C18 | H18B | 141.5° | 116.5° |
| C16 | C17 | C18 | H18A | 98.1° | 122.0° |
| C17 | C18 | C19 | H18B | 119.8° | 119.3° |
| C17 | C18 | C19 | H18A | 119.8° | 119.2° |
| C18 | C17 | C16 | C20 | 77.8° | 90.8° |
| C17 | C18 | C19 | C15 | 0.0° | 24.1° |
| C18 | C17 | H17B | H17A | 122.4° | 121.0° |
| C18 | C17 | C16 | H16 | 155.3° | 142.4° |
| C17 | C18 | H18B | H18A | 120.6° | 121.4° |
| C17 | C18 | C19 | H19A | 119.4° | 95.6° |
| C17 | C18 | C19 | H19B | 119.4° | 142.1° |
| C18 | C19 | C15 | H19A | 119.4° | 119.3° |
| C18 | C19 | C15 | H19B | 119.4° | 118.4° |
| C18 | C19 | C15 | H15 | 99.1° | 88.2° |
| C19 | C18 | C17 | H17B | 97.4° | 120.8° |
| C19 | C18 | C17 | H17A | 140.9° | 118.2° |
| C19 | C18 | H18B | H18A | 120.5° | 121.5° |
| C18 | C19 | H19A | H19B | 121.8° | 122.2° |
| C16 | C20 | C21 | N13 | 111.1° | 118.2° |
| C16 | C20 | C21 | H20 | 125.6° | 120.9° |
| C16 | C20 | C21 | N22 | 118.6° | 80.3° |
| C16 | C20 | C21 | O35 | 64.6° | 99.8° |
| C16 | C20 | N13 | H20 | 120.4° | 119.6° |
| C20 | C16 | C15 | C19 | 83.7° | 80.6° |
| C20 | C16 | C15 | H15 | 155.5° | 155.7° |
| C20 | C16 | C17 | H17B | 163.0° | 150.4° |
| C20 | C16 | C17 | H17A | 41.3° | 29.4° |
| C20 | C21 | N22 | O35 | 176.7° | 179.9° |
| C20 | C21 | N22 | C23 | 148.7° | 180.0° |
| C21 | C20 | N13 | H20 | 122.7° | 120.9° |
| C21 | C20 | C16 | H16 | 13.8° | 16.7° |
| C20 | C21 | N22 | H22 | 31.3° | 0.1° |
| C21 | N22 | C23 | H22 | 180.0° | 180.0° |
| C21 | N22 | C23 | C24 | 137.1° | 85.0° |
| C21 | N22 | C23 | C29 | 92.2° | 155.0° |
| N22 | C21 | C20 | N13 | 130.4° | 161.5° |
| N22 | C21 | C20 | H20 | 7.0° | 40.6° |
| C21 | N22 | C23 | H23 | 24.3° | 35.0° |
| N22 | C23 | C24 | C29 | 133.0° | 120.0° |
| N22 | C23 | C24 | H23 | 113.3° | 119.9° |
| N22 | C23 | C24 | C25 | 58.1° | 65.0° |
| N22 | C23 | C29 | H23 | 117.0° | 119.9° |
| N22 | C23 | C29 | O30 | 45.4° | 60.0° |
| N22 | C23 | C29 | C31 | 163.5° | 60.0° |
| C23 | N22 | C21 | O35 | 34.6° | 0.0° |
| N22 | C23 | C24 | H24B | 62.4° | 55.1° |
| N22 | C23 | C24 | H24A | 178.5° | 175.0° |
| N22 | C23 | C29 | H29 | 75.4° | 180.0° |
| C23 | C24 | C25 | H24B | 120.4° | 120.1° |
| C23 | C24 | C25 | H24A | 120.4° | 120.0° |
| C23 | C24 | C25 | C26 | 162.3° | 180.0° |
| C24 | C23 | C29 | H23 | 113.8° | 120.1° |
| C24 | C23 | C29 | O30 | 174.6° | 60.0° |
| C24 | C23 | C29 | C31 | 67.3° | 180.0° |
| C23 | C24 | H24B | H24A | 118.8° | 119.9° |
| C23 | C24 | C25 | H25A | 77.0° | 60.0° |
| C23 | C24 | C25 | H25B | 41.6° | 60.1° |
| C24 | C23 | C29 | H29 | 53.8° | 60.0° |
| C24 | C23 | N22 | H22 | 42.9° | 95.0° |
| C24 | C25 | C26 | H25A | 120.7° | 120.1° |
| C24 | C25 | C26 | H25B | 120.7° | 120.0° |
| C24 | C25 | C26 | C27 | 173.2° | 175.0° |
| C24 | C25 | C26 | F28 | 66.3° | 65.0° |
| C25 | C24 | C23 | C29 | 169.0° | 175.0° |
| C25 | C24 | H24B | H24A | 118.7° | 120.0° |
| C24 | C25 | C26 | H26 | 52.6° | 55.0° |
| C25 | C24 | C23 | H23 | 55.2° | 54.9° |
| C24 | C25 | H25A | H25B | 117.9° | 120.0° |
| C25 | C26 | C27 | F28 | 120.3° | 120.0° |
| C25 | C26 | C27 | H26 | 120.4° | 120.0° |
| C25 | C26 | F28 | H26 | 118.1° | 119.9° |
| C26 | C25 | C24 | H24B | 41.8° | 60.0° |
| C26 | C25 | C24 | H24A | 77.3° | 60.0° |
| C26 | C25 | H25A | H25B | 117.9° | 119.9° |
| C25 | C26 | C27 | H27A | 180.0° | 180.0° |
| C25 | C26 | C27 | H27B | 60.0° | 60.0° |
| C25 | C26 | C27 | H27C | 60.0° | 60.0° |
| C27 | C26 | F28 | H26 | 118.5° | 120.0° |
| C27 | C26 | C25 | H25A | 52.5° | 55.0° |
| C27 | C26 | C25 | H25B | 66.1° | 65.0° |
| C26 | C27 | H27A | H27B | 120.0° | 120.0° |
| C26 | C27 | H27A | H27C | 120.0° | 120.0° |
| C26 | C27 | H27B | H27C | 120.0° | 120.0° |
| F28 | C26 | C25 | H25A | 172.9° | 175.0° |
| F28 | C26 | C25 | H25B | 54.3° | 55.0° |
| F28 | C26 | C27 | H27A | 59.7° | 60.0° |
| F28 | C26 | C27 | H27B | 179.7° | 180.0° |
| F28 | C26 | C27 | H27C | 60.3° | 60.0° |
| C23 | C29 | O30 | C31 | 119.1° | 120.0° |
| C23 | C29 | O30 | H29 | 119.6° | 120.0° |
| C23 | C29 | C31 | H29 | 121.0° | 120.0° |
| C23 | C29 | C31 | N32 | 113.3° | 65.0° |
| C23 | C29 | C31 | O34 | 69.0° | 115.0° |
| C29 | C23 | C24 | H24B | 70.6° | 64.9° |
| C29 | C23 | C24 | H24A | 48.6° | 55.0° |
| C29 | C23 | N22 | H22 | 87.8° | 25.0° |
| C23 | C29 | O30 | H30 | 180.0° | 60.0° |
| O30 | C29 | C31 | H29 | 122.2° | 120.0° |
| O30 | C29 | C31 | N32 | 3.5° | 175.0° |
| O30 | C29 | C31 | O34 | 174.2° | 5.0° |
| O30 | C29 | C23 | H23 | 71.7° | 180.0° |
| C29 | C31 | N32 | O34 | 177.7° | 180.0° |
| C29 | C31 | N32 | C33 | 178.7° | 180.0° |
| C31 | C29 | C23 | H23 | 46.5° | 60.0° |
| C29 | C31 | N32 | H32 | 1.3° | 0.1° |
| C31 | C29 | O30 | H30 | 60.9° | 60.0° |
| C31 | N32 | C33 | H32 | 180.0° | 179.9° |
| N32 | C31 | C29 | H29 | 125.7° | 55.0° |
| C31 | N32 | C33 | H33A | 180.0° | 60.0° |
| C31 | N32 | C33 | H33C | 60.0° | 60.0° |
| C31 | N32 | C33 | H33B | 60.0° | 180.0° |
| C33 | N32 | C31 | O34 | 1.1° | 0.0° |
| N32 | C33 | H33A | H33C | 120.0° | 120.0° |
| N32 | C33 | H33A | H33B | 120.0° | 120.0° |
| N32 | C33 | H33C | H33B | 120.0° | 120.0° |
| O34 | C31 | C29 | H29 | 52.0° | 125.0° |
| O34 | C31 | N32 | H32 | 178.9° | 179.9° |
| O35 | C21 | C20 | N13 | 46.4° | 18.5° |
| O35 | C21 | C20 | H20 | 169.8° | 139.4° |
| O35 | C21 | N22 | H22 | 145.4° | 180.0° |
| C20 | N13 | C14 | H14B | 141.4° | 95.2° |
| C20 | N13 | C14 | H14A | 96.0° | 142.8° |
| N13 | C20 | C16 | H16 | 99.3° | 102.8° |
| C19 | C15 | C14 | H14B | 40.5° | 167.3° |
| C19 | C15 | C14 | H14A | 163.0° | 45.3° |
| C19 | C15 | C16 | H16 | 155.7° | 156.8° |
| C15 | C19 | C18 | H18B | 119.8° | 95.1° |
| C15 | C19 | C18 | H18A | 119.8° | 143.4° |
| C15 | C19 | H19A | H19B | 121.8° | 121.9° |
| H7C | C7 | H7A | H7B | 120.0° | 119.9° |
| H10B | C10 | H10C | H10A | 120.0° | 120.0° |
| H15 | C15 | C14 | H14B | 86.7° | 39.1° |
| H15 | C15 | C14 | H14A | 35.9° | 82.8° |
| H15 | C15 | C16 | H16 | 34.8° | 33.1° |
| H15 | C15 | C19 | H19A | 20.3° | 152.6° |
| H15 | C15 | C19 | H19B | 141.5° | 30.2° |
| H17B | C17 | C16 | H16 | 36.2° | 23.5° |
| H17B | C17 | C18 | H18B | 22.4° | 1.5° |
| H17B | C17 | C18 | H18A | 142.7° | 120.0° |
| H17A | C17 | C16 | H16 | 85.5° | 97.4° |
| H17A | C17 | C18 | H18B | 99.3° | 122.5° |
| H17A | C17 | C18 | H18A | 21.1° | 1.1° |
| H20 | C20 | C16 | H16 | 139.4° | 137.6° |
| H24B | C24 | C23 | H23 | 175.7° | 175.0° |
| H24B | C24 | C25 | H25A | 162.5° | 179.9° |
| H24B | C24 | C25 | H25B | 78.9° | 60.0° |
| H24A | C24 | C23 | H23 | 65.2° | 65.1° |
| H24A | C24 | C25 | H25A | 43.4° | 60.0° |
| H24A | C24 | C25 | H25B | 162.0° | 180.0° |
| H26 | C26 | C25 | H25A | 68.1° | 65.1° |
| H26 | C26 | C25 | H25B | 173.3° | 174.9° |
| H26 | C26 | C27 | H27A | 59.6° | 59.9° |
| H26 | C26 | C27 | H27B | 60.4° | 60.0° |
| H26 | C26 | C27 | H27C | 179.6° | 180.0° |
| H11A | C11 | H11C | H11B | 120.0° | 120.0° |
| H12B | C12 | H12A | H12C | 120.0° | 120.1° |
| H18B | C18 | C19 | H19A | 0.4° | 145.1° |
| H18B | C18 | C19 | H19B | 120.8° | 22.8° |
| H18A | C18 | C19 | H19A | 120.8° | 23.6° |
| H18A | C18 | C19 | H19B | 0.5° | 98.7° |
| H23 | C23 | C29 | H29 | 167.6° | 60.0° |
| H23 | C23 | N22 | H22 | 155.7° | 145.0° |
| H27A | C27 | H27B | H27C | 120.0° | 120.0° |
| H29 | C29 | O30 | H30 | 60.4° | 180.0° |
| H3 | C3 | N4 | H4 | 157.7° | 145.0° |
| H33A | C33 | H33C | H33B | 120.0° | 120.0° |
| H33A | C33 | N32 | H32 | 0.0° | 120.0° |
| H33C | C33 | N32 | H32 | 120.0° | 119.9° |
| H33B | C33 | N32 | H32 | 120.0° | 0.1° |
