XPW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| N30 | C29 | trip | 1.14Å | 1.13Å | |
| C29 | C26 | sing | 1.43Å | 1.53Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | N22 | sing | 1.36Å | 1.36Å | Aromatic |
| C23 | C28 | doub | 1.41Å | 1.37Å | Aromatic |
| N22 | C21 | doub | 1.30Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | N20 | sing | 1.38Å | 1.36Å | Aromatic |
| C21 | N20 | sing | 1.36Å | 1.33Å | Aromatic |
| N20 | C19 | sing | 1.47Å | 1.45Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C31 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C31 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.54Å | 1.47Å | |
| C13 | O32 | sing | 1.45Å | 1.43Å | |
| C12 | N11 | sing | 1.47Å | 1.42Å | |
| O32 | C33 | sing | 1.34Å | 1.44Å | |
| N07 | C06 | doub | 1.32Å | 1.33Å | Aromatic |
| N07 | C08 | sing | 1.33Å | 1.32Å | Aromatic |
| N11 | C33 | sing | 1.34Å | 1.46Å | |
| N11 | C08 | sing | 1.39Å | 1.46Å | |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | O34 | doub | 1.22Å | 1.18Å | |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| O04 | C02 | sing | 1.43Å | 1.40Å | |
| C05 | C02 | sing | 1.51Å | 1.53Å | |
| C05 | N10 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | N10 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| O04 | H20 | sing | 0.97Å | 0.95Å | |
| C06 | H21 | sing | 1.08Å | 1.08Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 119.8° | 120.5° |
| C25 | C24 | C23 | 120.1° | 120.1° |
| C25 | C24 | H24 | 120.0° | 119.9° |
| C24 | C25 | H25 | 120.1° | 119.8° |
| C25 | C26 | C29 | 119.6° | 119.9° |
| C25 | C26 | C27 | 120.3° | 120.1° |
| C26 | C25 | H25 | 120.1° | 119.7° |
| C24 | C23 | N22 | 132.9° | 133.4° |
| C24 | C23 | C28 | 120.0° | 119.7° |
| C23 | C24 | H24 | 120.0° | 120.0° |
| N30 | C29 | C26 | 179.9° | 180.0° |
| C29 | C26 | C27 | 120.1° | 120.0° |
| C26 | C27 | C28 | 119.8° | 119.6° |
| C26 | C27 | H26 | 120.1° | 120.2° |
| N22 | C23 | C28 | 107.1° | 106.9° |
| C23 | N22 | C21 | 107.9° | 109.7° |
| C23 | C28 | C27 | 120.0° | 120.0° |
| C23 | C28 | N20 | 107.2° | 106.0° |
| N22 | C21 | N20 | 110.0° | 110.1° |
| N22 | C21 | H23 | 125.0° | 125.0° |
| C27 | C28 | N20 | 132.8° | 134.0° |
| C28 | C27 | H26 | 120.1° | 120.2° |
| C28 | N20 | C21 | 107.8° | 107.3° |
| C28 | N20 | C19 | 126.2° | 126.4° |
| C21 | N20 | C19 | 126.0° | 126.4° |
| N20 | C21 | H23 | 125.0° | 124.9° |
| N20 | C19 | C17 | 109.8° | 109.5° |
| N20 | C19 | H12 | 109.4° | 109.4° |
| N20 | C19 | H13 | 109.4° | 109.4° |
| C19 | C17 | C16 | 109.3° | 109.5° |
| C19 | C17 | C18 | 109.8° | 109.5° |
| C19 | C17 | C31 | 108.3° | 109.5° |
| C17 | C19 | H12 | 109.4° | 109.5° |
| C17 | C19 | H13 | 109.4° | 109.5° |
| C16 | C17 | C18 | 108.2° | 109.5° |
| C16 | C17 | C31 | 112.0° | 109.4° |
| C17 | C16 | C15 | 113.0° | 109.5° |
| C17 | C16 | H7 | 108.6° | 109.4° |
| C17 | C16 | H8 | 108.6° | 109.4° |
| C18 | C17 | C31 | 109.3° | 109.5° |
| C17 | C18 | H9 | 109.5° | 109.5° |
| C17 | C18 | H10 | 109.5° | 109.5° |
| C17 | C18 | H11 | 109.5° | 109.5° |
| C17 | C31 | C13 | 113.4° | 109.5° |
| C17 | C31 | H27 | 108.5° | 109.4° |
| C17 | C31 | H28 | 108.5° | 109.4° |
| C16 | C15 | C14 | 114.4° | 109.4° |
| C16 | C15 | H5 | 108.3° | 109.5° |
| C16 | C15 | H6 | 108.2° | 109.5° |
| C15 | C16 | H7 | 108.6° | 109.5° |
| C15 | C16 | H8 | 108.6° | 109.5° |
| C31 | C13 | C14 | 113.4° | 110.7° |
| C31 | C13 | C12 | 108.1° | 110.2° |
| C31 | C13 | O32 | 109.4° | 110.6° |
| C13 | C31 | H27 | 108.5° | 109.5° |
| C13 | C31 | H28 | 108.5° | 109.5° |
| C15 | C14 | C13 | 114.9° | 109.5° |
| C15 | C14 | H3 | 108.1° | 109.5° |
| C15 | C14 | H4 | 108.1° | 109.5° |
| C14 | C15 | H5 | 108.2° | 109.5° |
| C14 | C15 | H6 | 108.2° | 109.5° |
| C14 | C13 | C12 | 109.3° | 110.2° |
| C14 | C13 | O32 | 109.4° | 110.6° |
| C13 | C14 | H3 | 108.1° | 109.4° |
| C13 | C14 | H4 | 108.1° | 109.5° |
| C12 | C13 | O32 | 107.2° | 104.4° |
| C13 | C12 | N11 | 106.4° | 103.6° |
| C13 | C12 | H1 | 110.3° | 110.6° |
| C13 | C12 | H2 | 110.3° | 110.7° |
| C13 | O32 | C33 | 107.3° | 109.3° |
| C12 | N11 | C33 | 107.5° | 108.8° |
| C12 | N11 | C08 | 126.4° | 125.6° |
| N11 | C12 | H1 | 110.2° | 110.6° |
| N11 | C12 | H2 | 110.2° | 110.6° |
| O32 | C33 | N11 | 107.7° | 113.8° |
| O32 | C33 | O34 | 126.2° | 123.1° |
| C06 | N07 | C08 | 119.8° | 119.9° |
| N07 | C06 | C05 | 119.5° | 120.1° |
| N07 | C06 | H21 | 120.2° | 120.0° |
| N07 | C08 | N11 | 119.9° | 120.1° |
| N07 | C08 | C09 | 120.6° | 119.9° |
| C33 | N11 | C08 | 126.1° | 125.6° |
| N11 | C33 | O34 | 126.1° | 123.1° |
| N11 | C08 | C09 | 119.5° | 120.1° |
| C06 | C05 | C02 | 119.9° | 119.9° |
| C06 | C05 | N10 | 120.6° | 120.2° |
| C05 | C06 | H21 | 120.2° | 120.0° |
| C08 | C09 | N10 | 119.7° | 119.9° |
| C08 | C09 | H22 | 120.1° | 120.1° |
| O04 | C02 | C05 | 109.6° | 109.5° |
| O04 | C02 | C01 | 109.6° | 109.4° |
| O04 | C02 | C03 | 109.7° | 109.5° |
| C02 | O04 | H20 | 109.5° | 114.0° |
| C02 | C05 | N10 | 119.5° | 119.9° |
| C05 | C02 | C01 | 109.4° | 109.5° |
| C05 | C02 | C03 | 109.2° | 109.5° |
| C05 | N10 | C09 | 119.8° | 120.1° |
| N10 | C09 | H22 | 120.1° | 120.1° |
| C01 | C02 | C03 | 109.4° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.4° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C02 | C03 | H18 | 109.5° | 109.4° |
| C02 | C03 | H19 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.4° | 110.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H11 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.4° | 109.4° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H16 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H17 | C03 | H18 | 109.4° | 109.5° |
| H17 | C03 | H19 | 109.5° | 109.5° |
| H18 | C03 | H19 | 109.5° | 109.4° |
| H27 | C31 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C24 | C25 | C26 | C29 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C25 | C24 | C23 | N22 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 0.0° | 0.4° |
| C26 | C25 | C24 | C23 | 0.0° | 0.1° |
| C25 | C26 | C29 | N30 | 82.0° | 168.8° |
| C25 | C26 | C29 | C27 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.3° |
| C26 | C25 | C24 | H24 | 179.9° | 180.0° |
| C25 | C26 | C27 | H26 | 179.9° | 180.0° |
| C24 | C23 | N22 | C28 | 180.0° | 179.6° |
| C24 | C23 | N22 | C21 | 180.0° | 179.7° |
| C24 | C23 | C28 | C27 | 0.1° | 0.7° |
| C24 | C23 | C28 | N20 | 179.8° | 179.7° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| N30 | C29 | C26 | C27 | 98.0° | 11.2° |
| C29 | C26 | C27 | C28 | 180.0° | 179.7° |
| C29 | C26 | C25 | H25 | 0.1° | 0.0° |
| C29 | C26 | C27 | H26 | 0.0° | 0.0° |
| C26 | C27 | C28 | C23 | 0.1° | 0.6° |
| C26 | C27 | C28 | H26 | 180.0° | 179.7° |
| C26 | C27 | C28 | N20 | 179.8° | 179.9° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| N22 | C23 | C28 | C27 | 179.9° | 179.6° |
| N22 | C23 | C28 | N20 | 0.1° | 0.0° |
| C23 | N22 | C21 | N20 | 0.1° | 0.0° |
| C23 | N22 | C21 | H23 | 179.9° | 180.0° |
| N22 | C23 | C24 | H24 | 0.0° | 0.1° |
| C28 | C23 | N22 | C21 | 0.0° | 0.0° |
| C23 | C28 | C27 | N20 | 179.7° | 179.4° |
| C23 | C28 | N20 | C21 | 0.2° | 0.0° |
| C23 | C28 | N20 | C19 | 180.0° | 180.0° |
| C28 | C23 | C24 | H24 | 180.0° | 179.7° |
| C23 | C28 | C27 | H26 | 179.8° | 179.7° |
| N22 | C21 | N20 | C28 | 0.2° | 0.0° |
| N22 | C21 | N20 | H23 | 180.0° | 180.0° |
| N22 | C21 | N20 | C19 | 180.0° | 180.0° |
| C27 | C28 | N20 | C21 | 179.9° | 179.5° |
| C27 | C28 | N20 | C19 | 0.3° | 0.5° |
| C28 | N20 | C21 | C19 | 179.8° | 180.0° |
| C28 | N20 | C19 | C17 | 97.1° | 85.0° |
| C28 | N20 | C19 | H12 | 142.8° | 35.0° |
| C28 | N20 | C19 | H13 | 23.0° | 155.0° |
| C28 | N20 | C21 | H23 | 179.8° | 180.0° |
| N20 | C28 | C27 | H26 | 0.2° | 0.2° |
| C21 | N20 | C19 | C17 | 83.1° | 95.0° |
| C21 | N20 | C19 | H12 | 37.0° | 145.0° |
| C21 | N20 | C19 | H13 | 156.9° | 25.0° |
| N20 | C19 | C17 | H12 | 120.1° | 120.0° |
| N20 | C19 | C17 | H13 | 120.1° | 120.0° |
| N20 | C19 | C17 | C16 | 172.6° | 60.0° |
| N20 | C19 | C17 | C18 | 68.9° | 60.0° |
| N20 | C19 | C17 | C31 | 50.5° | 180.0° |
| N20 | C19 | H12 | H13 | 119.8° | 120.0° |
| C19 | N20 | C21 | H23 | 0.0° | 0.0° |
| C19 | C17 | C16 | C18 | 119.5° | 120.0° |
| C19 | C17 | C16 | C31 | 120.0° | 120.0° |
| C19 | C17 | C18 | C31 | 118.7° | 120.0° |
| C19 | C17 | C16 | C15 | 172.3° | 179.6° |
| C19 | C17 | C31 | C13 | 174.1° | 179.2° |
| C19 | C17 | C16 | H7 | 67.2° | 60.4° |
| C19 | C17 | C16 | H8 | 51.8° | 59.6° |
| C19 | C17 | C18 | H9 | 180.0° | 172.4° |
| C19 | C17 | C18 | H10 | 60.0° | 67.6° |
| C19 | C17 | C18 | H11 | 60.0° | 52.4° |
| C17 | C19 | H12 | H13 | 119.8° | 120.0° |
| C19 | C17 | C31 | H27 | 53.5° | 60.8° |
| C19 | C17 | C31 | H28 | 65.4° | 59.2° |
| C16 | C17 | C18 | C31 | 122.1° | 120.0° |
| C17 | C16 | C15 | H7 | 120.5° | 120.0° |
| C17 | C16 | C15 | H8 | 120.5° | 120.0° |
| C16 | C17 | C31 | C13 | 53.6° | 59.2° |
| C17 | C16 | C15 | C14 | 47.4° | 60.4° |
| C17 | C16 | C15 | H5 | 73.3° | 179.6° |
| C17 | C16 | C15 | H6 | 168.2° | 59.7° |
| C17 | C16 | H7 | H8 | 118.4° | 119.9° |
| C16 | C17 | C18 | H9 | 60.9° | 52.4° |
| C16 | C17 | C18 | H10 | 179.1° | 172.4° |
| C16 | C17 | C18 | H11 | 59.2° | 67.6° |
| C16 | C17 | C19 | H12 | 67.3° | 180.0° |
| C16 | C17 | C19 | H13 | 52.6° | 60.0° |
| C16 | C17 | C31 | H27 | 67.0° | 179.2° |
| C16 | C17 | C31 | H28 | 174.1° | 60.8° |
| C18 | C17 | C16 | C15 | 68.2° | 59.6° |
| C18 | C17 | C31 | C13 | 66.3° | 60.8° |
| C18 | C17 | C16 | H7 | 52.3° | 179.6° |
| C18 | C17 | C16 | H8 | 171.3° | 60.4° |
| C17 | C18 | H9 | H10 | 120.0° | 120.0° |
| C17 | C18 | H9 | H11 | 120.0° | 120.0° |
| C17 | C18 | H10 | H11 | 120.0° | 120.0° |
| C18 | C17 | C19 | H12 | 51.2° | 60.0° |
| C18 | C17 | C19 | H13 | 171.1° | 180.0° |
| C18 | C17 | C31 | H27 | 173.1° | 59.2° |
| C18 | C17 | C31 | H28 | 54.3° | 179.2° |
| C31 | C17 | C16 | C15 | 52.4° | 60.4° |
| C17 | C31 | C13 | H27 | 120.6° | 120.0° |
| C17 | C31 | C13 | H28 | 120.6° | 120.0° |
| C17 | C31 | C13 | C14 | 49.0° | 58.8° |
| C17 | C31 | C13 | C12 | 170.3° | 179.0° |
| C17 | C31 | C13 | O32 | 73.4° | 64.1° |
| C31 | C17 | C16 | H7 | 172.9° | 59.6° |
| C31 | C17 | C16 | H8 | 68.2° | 179.6° |
| C31 | C17 | C18 | H9 | 61.3° | 67.6° |
| C31 | C17 | C18 | H10 | 58.7° | 52.5° |
| C31 | C17 | C18 | H11 | 178.7° | 172.4° |
| C31 | C17 | C19 | H12 | 170.5° | 60.1° |
| C31 | C17 | C19 | H13 | 69.6° | 60.0° |
| C17 | C31 | H27 | H28 | 118.2° | 119.9° |
| C16 | C15 | C14 | H5 | 120.7° | 120.0° |
| C16 | C15 | C14 | H6 | 120.7° | 120.0° |
| C16 | C15 | C14 | C13 | 43.1° | 59.2° |
| C16 | C15 | C14 | H3 | 163.9° | 60.7° |
| C16 | C15 | C14 | H4 | 77.7° | 179.2° |
| C16 | C15 | H5 | H6 | 117.8° | 120.0° |
| C15 | C16 | H7 | H8 | 118.4° | 120.0° |
| C31 | C13 | C14 | C15 | 43.6° | 58.8° |
| C31 | C13 | C14 | C12 | 120.6° | 122.2° |
| C31 | C13 | C14 | O32 | 122.3° | 122.9° |
| C31 | C13 | C12 | O32 | 117.8° | 118.8° |
| C31 | C13 | C12 | N11 | 97.4° | 118.8° |
| C31 | C13 | O32 | C33 | 102.3° | 118.5° |
| C31 | C13 | C12 | H1 | 143.1° | 122.6° |
| C31 | C13 | C12 | H2 | 22.2° | 0.2° |
| C31 | C13 | C14 | H3 | 164.4° | 61.2° |
| C31 | C13 | C14 | H4 | 77.2° | 178.9° |
| C13 | C31 | H27 | H28 | 118.2° | 120.1° |
| C15 | C14 | C13 | H3 | 120.8° | 120.0° |
| C15 | C14 | C13 | H4 | 120.8° | 120.1° |
| C15 | C14 | C13 | C12 | 164.2° | 179.0° |
| C15 | C14 | C13 | O32 | 78.8° | 64.1° |
| C15 | C14 | H3 | H4 | 117.5° | 120.1° |
| C14 | C15 | H5 | H6 | 117.8° | 120.0° |
| C14 | C15 | C16 | H7 | 168.0° | 59.6° |
| C14 | C15 | C16 | H8 | 73.1° | 179.6° |
| C14 | C13 | C12 | O32 | 118.4° | 118.7° |
| C14 | C13 | C12 | N11 | 138.9° | 118.8° |
| C14 | C13 | O32 | C33 | 133.0° | 118.5° |
| C14 | C13 | C12 | H1 | 19.3° | 0.2° |
| C14 | C13 | C12 | H2 | 101.6° | 122.7° |
| C13 | C14 | H3 | H4 | 117.5° | 119.9° |
| C13 | C14 | C15 | H5 | 77.6° | 179.2° |
| C13 | C14 | C15 | H6 | 163.8° | 60.8° |
| C14 | C13 | C31 | H27 | 71.6° | 178.8° |
| C14 | C13 | C31 | H28 | 169.5° | 61.2° |
| C13 | C12 | N11 | H1 | 119.5° | 118.6° |
| C13 | C12 | N11 | H2 | 119.5° | 118.7° |
| C12 | C13 | O32 | C33 | 14.6° | 0.0° |
| C13 | C12 | N11 | C33 | 18.0° | 0.0° |
| C13 | C12 | N11 | C08 | 161.9° | 180.0° |
| C13 | C12 | H1 | H2 | 121.4° | 123.0° |
| C12 | C13 | C14 | H3 | 75.0° | 61.0° |
| C12 | C13 | C14 | H4 | 43.4° | 58.9° |
| C12 | C13 | C31 | H27 | 49.7° | 59.1° |
| C12 | C13 | C31 | H28 | 69.2° | 61.0° |
| O32 | C13 | C12 | N11 | 20.4° | 0.0° |
| C13 | O32 | C33 | N11 | 3.6° | 0.0° |
| C13 | O32 | C33 | O34 | 176.5° | 180.0° |
| O32 | C13 | C12 | H1 | 99.1° | 118.6° |
| O32 | C13 | C12 | H2 | 139.9° | 118.6° |
| O32 | C13 | C14 | H3 | 42.0° | 175.9° |
| O32 | C13 | C14 | H4 | 160.5° | 56.0° |
| O32 | C13 | C31 | H27 | 166.1° | 55.9° |
| O32 | C13 | C31 | H28 | 47.2° | 176.0° |
| C12 | N11 | C33 | O32 | 9.2° | 0.0° |
| C12 | N11 | C08 | N07 | 70.9° | 175.0° |
| C12 | N11 | C33 | C08 | 180.0° | 180.0° |
| C12 | N11 | C33 | O34 | 170.7° | 180.0° |
| C12 | N11 | C08 | C09 | 109.0° | 5.0° |
| N11 | C12 | H1 | H2 | 121.4° | 122.8° |
| O32 | C33 | N11 | O34 | 179.9° | 180.0° |
| O32 | C33 | N11 | C08 | 170.7° | 180.0° |
| C06 | N07 | C08 | N11 | 180.0° | 180.0° |
| N07 | C06 | C05 | H21 | 180.0° | 180.0° |
| C06 | N07 | C08 | C09 | 0.1° | 0.0° |
| N07 | C06 | C05 | C02 | 180.0° | 180.0° |
| N07 | C06 | C05 | N10 | 0.2° | 0.2° |
| N07 | C08 | N11 | C33 | 109.1° | 5.0° |
| N07 | C08 | N11 | C09 | 179.9° | 180.0° |
| C08 | N07 | C06 | C05 | 0.1° | 0.0° |
| N07 | C08 | C09 | N10 | 0.1° | 0.2° |
| C08 | N07 | C06 | H21 | 179.9° | 180.0° |
| N07 | C08 | C09 | H22 | 179.9° | 180.0° |
| C33 | N11 | C08 | C09 | 71.0° | 175.0° |
| C33 | N11 | C12 | H1 | 101.5° | 118.6° |
| C33 | N11 | C12 | H2 | 137.6° | 118.7° |
| C08 | N11 | C33 | O34 | 9.4° | 0.0° |
| N11 | C08 | C09 | N10 | 180.0° | 179.8° |
| C08 | N11 | C12 | H1 | 78.6° | 61.4° |
| C08 | N11 | C12 | H2 | 42.4° | 61.3° |
| N11 | C08 | C09 | H22 | 0.0° | 0.0° |
| C06 | C05 | C02 | O04 | 14.8° | 54.8° |
| C06 | C05 | C02 | N10 | 179.8° | 179.8° |
| C06 | C05 | N10 | C09 | 0.1° | 0.4° |
| C06 | C05 | C02 | C01 | 105.4° | 174.7° |
| C06 | C05 | C02 | C03 | 135.0° | 65.2° |
| C08 | C09 | N10 | C05 | 0.0° | 0.4° |
| C08 | C09 | N10 | H22 | 180.0° | 179.8° |
| O04 | C02 | C05 | C01 | 120.2° | 119.9° |
| O04 | C02 | C05 | C03 | 120.2° | 120.0° |
| O04 | C02 | C05 | N10 | 165.0° | 125.0° |
| O04 | C02 | C01 | C03 | 120.3° | 120.0° |
| O04 | C02 | C01 | H14 | 180.0° | 180.0° |
| O04 | C02 | C01 | H15 | 60.0° | 60.0° |
| O04 | C02 | C01 | H16 | 60.0° | 60.0° |
| O04 | C02 | C03 | H17 | 180.0° | 60.0° |
| O04 | C02 | C03 | H18 | 60.0° | 60.1° |
| O04 | C02 | C03 | H19 | 60.0° | 180.0° |
| C02 | C05 | N10 | C09 | 180.0° | 179.8° |
| C05 | C02 | C01 | C03 | 119.5° | 120.1° |
| C05 | C02 | C01 | H14 | 59.8° | 60.0° |
| C05 | C02 | C01 | H15 | 179.8° | 60.0° |
| C05 | C02 | C01 | H16 | 60.2° | 180.0° |
| C05 | C02 | C03 | H17 | 59.8° | 180.0° |
| C05 | C02 | C03 | H18 | 60.1° | 60.0° |
| C05 | C02 | C03 | H19 | 179.9° | 59.9° |
| C05 | C02 | O04 | H20 | 180.0° | 59.9° |
| C02 | C05 | C06 | H21 | 0.0° | 0.0° |
| N10 | C05 | C02 | C01 | 74.8° | 5.1° |
| N10 | C05 | C02 | C03 | 44.8° | 115.0° |
| N10 | C05 | C06 | H21 | 179.8° | 179.8° |
| C05 | N10 | C09 | H22 | 180.0° | 179.8° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C01 | C02 | C03 | H17 | 59.8° | 60.0° |
| C01 | C02 | C03 | H18 | 179.8° | 180.0° |
| C01 | C02 | C03 | H19 | 60.2° | 60.1° |
| C01 | C02 | O04 | H20 | 59.9° | 60.0° |
| C03 | C02 | C01 | H14 | 59.7° | 60.0° |
| C03 | C02 | C01 | H15 | 60.3° | 180.0° |
| C03 | C02 | C01 | H16 | 179.7° | 60.0° |
| C02 | C03 | H17 | H18 | 120.0° | 120.0° |
| C02 | C03 | H17 | H19 | 120.0° | 120.0° |
| C02 | C03 | H18 | H19 | 120.0° | 119.9° |
| C03 | C02 | O04 | H20 | 60.2° | 180.0° |
| H3 | C14 | C15 | H5 | 43.2° | 59.3° |
| H3 | C14 | C15 | H6 | 75.4° | 179.2° |
| H4 | C14 | C15 | H5 | 161.6° | 60.7° |
| H4 | C14 | C15 | H6 | 43.0° | 59.2° |
| H5 | C15 | C16 | H7 | 47.3° | 60.4° |
| H5 | C15 | C16 | H8 | 166.2° | 59.7° |
| H6 | C15 | C16 | H7 | 71.3° | 179.6° |
| H6 | C15 | C16 | H8 | 47.7° | 60.3° |
| H9 | C18 | H10 | H11 | 120.0° | 120.0° |
| H14 | C01 | H15 | H16 | 120.0° | 120.0° |
| H17 | C03 | H18 | H19 | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.1° |
