A1IXN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | N33 | sing | 1.32Å | 1.32Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.35Å | Aromatic |
| N33 | C34 | doub | 1.32Å | 1.31Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | N10 | sing | 1.40Å | 1.51Å | |
| C29 | C26 | sing | 1.48Å | 1.40Å | |
| C09 | N10 | sing | 1.47Å | 1.46Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C08 | N07 | sing | 1.47Å | 1.38Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.45Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| N07 | C06 | sing | 1.47Å | 1.28Å | |
| N07 | C12 | sing | 1.47Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.57Å | |
| C28 | N19 | sing | 1.40Å | 1.44Å | |
| C28 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C02 | N19 | sing | 1.35Å | 1.47Å | |
| C02 | N03 | sing | 1.35Å | 1.43Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | N03 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| N19 | C20 | sing | 1.35Å | 1.46Å | |
| C23 | N22 | sing | 1.39Å | 1.47Å | |
| C20 | N22 | sing | 1.35Å | 1.42Å | |
| C20 | O21 | doub | 1.22Å | 1.17Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| N03 | H27 | sing | 0.97Å | 1.00Å | |
| N22 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 119.6° | 120.1° |
| C15 | C16 | C17 | 120.3° | 120.2° |
| C16 | C15 | H16 | 120.2° | 120.0° |
| C15 | C16 | H17 | 119.8° | 119.9° |
| C15 | C14 | C13 | 119.7° | 119.9° |
| C15 | C14 | H15 | 120.1° | 120.0° |
| C14 | C15 | H16 | 120.2° | 119.9° |
| C16 | C17 | C18 | 120.8° | 120.1° |
| C17 | C16 | H17 | 119.8° | 119.9° |
| C16 | C17 | H18 | 119.6° | 119.9° |
| C31 | C32 | N33 | 121.5° | 121.1° |
| C32 | C31 | C30 | 119.7° | 119.3° |
| C32 | C31 | H24 | 120.1° | 120.4° |
| C31 | C32 | H25 | 119.2° | 119.5° |
| C32 | N33 | C34 | 121.0° | 121.8° |
| N33 | C32 | H25 | 119.3° | 119.5° |
| C31 | C30 | C29 | 116.8° | 118.3° |
| C31 | C30 | H23 | 121.6° | 120.9° |
| C30 | C31 | H24 | 120.2° | 120.3° |
| N33 | C34 | C29 | 120.1° | 120.6° |
| N33 | C34 | H26 | 119.9° | 119.6° |
| C14 | C13 | C18 | 121.0° | 119.9° |
| C14 | C13 | N10 | 118.5° | 120.1° |
| C13 | C14 | H15 | 120.1° | 120.1° |
| C17 | C18 | C13 | 118.6° | 119.9° |
| C18 | C17 | H18 | 119.6° | 120.0° |
| C17 | C18 | H19 | 120.7° | 120.0° |
| C30 | C29 | C34 | 120.9° | 119.0° |
| C30 | C29 | C26 | 118.2° | 120.5° |
| C29 | C30 | H23 | 121.6° | 120.9° |
| C34 | C29 | C26 | 120.8° | 120.5° |
| C29 | C34 | H26 | 120.0° | 119.7° |
| C18 | C13 | N10 | 120.5° | 120.0° |
| C13 | C18 | H19 | 120.7° | 120.1° |
| C13 | N10 | C09 | 118.0° | 111.0° |
| C13 | N10 | C11 | 124.4° | 111.0° |
| C29 | C26 | C27 | 119.6° | 120.0° |
| C29 | C26 | C25 | 120.2° | 120.0° |
| N10 | C09 | C08 | 110.0° | 109.4° |
| C09 | N10 | C11 | 108.3° | 110.9° |
| N10 | C09 | H9 | 109.3° | 109.4° |
| N10 | C09 | H10 | 109.3° | 109.5° |
| C09 | C08 | N07 | 113.9° | 109.4° |
| C09 | C08 | H7 | 108.4° | 109.5° |
| C09 | C08 | H8 | 108.3° | 109.5° |
| C08 | C09 | H9 | 109.3° | 109.5° |
| C08 | C09 | H10 | 109.3° | 109.5° |
| N10 | C11 | C12 | 113.1° | 109.3° |
| N10 | C11 | H11 | 108.6° | 109.5° |
| N10 | C11 | H12 | 108.6° | 109.5° |
| C08 | N07 | C06 | 110.0° | 111.0° |
| C08 | N07 | C12 | 120.2° | 110.9° |
| N07 | C08 | H7 | 108.3° | 109.5° |
| N07 | C08 | H8 | 108.3° | 109.5° |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C26 | C27 | C28 | 119.6° | 119.7° |
| C26 | C27 | H22 | 120.2° | 120.1° |
| C26 | C25 | C24 | 120.2° | 120.2° |
| C26 | C25 | H21 | 119.9° | 119.9° |
| C27 | C28 | N19 | 131.5° | 133.2° |
| C27 | C28 | C23 | 120.8° | 120.1° |
| C28 | C27 | H22 | 120.2° | 120.2° |
| O01 | C02 | N19 | 119.4° | 120.0° |
| O01 | C02 | N03 | 120.5° | 120.0° |
| C25 | C24 | C23 | 119.7° | 120.0° |
| C25 | C24 | H20 | 120.2° | 120.0° |
| C24 | C25 | H21 | 119.9° | 119.9° |
| C06 | N07 | C12 | 114.5° | 111.1° |
| N07 | C06 | C05 | 111.7° | 109.5° |
| N07 | C06 | H5 | 108.9° | 109.5° |
| N07 | C06 | H6 | 108.9° | 109.5° |
| N07 | C12 | C11 | 114.5° | 109.4° |
| N07 | C12 | H13 | 108.2° | 109.5° |
| N07 | C12 | H14 | 108.2° | 109.5° |
| C12 | C11 | H11 | 108.6° | 109.5° |
| C12 | C11 | H12 | 108.5° | 109.5° |
| C11 | C12 | H13 | 108.2° | 109.5° |
| C11 | C12 | H14 | 108.2° | 109.5° |
| C06 | C05 | C04 | 109.5° | 109.4° |
| C06 | C05 | H3 | 109.4° | 109.5° |
| C06 | C05 | H4 | 109.5° | 109.4° |
| C05 | C06 | H5 | 108.9° | 109.5° |
| C05 | C06 | H6 | 108.9° | 109.4° |
| N19 | C28 | C23 | 107.7° | 106.7° |
| C28 | N19 | C02 | 124.6° | 125.9° |
| C28 | N19 | C20 | 108.3° | 108.3° |
| C28 | C23 | C24 | 119.5° | 120.0° |
| C28 | C23 | N22 | 108.4° | 106.8° |
| N19 | C02 | N03 | 120.1° | 120.0° |
| C02 | N19 | C20 | 127.1° | 125.9° |
| C02 | N03 | C04 | 117.8° | 120.0° |
| C02 | N03 | H27 | 121.1° | 120.0° |
| C05 | C04 | N03 | 111.9° | 109.5° |
| C05 | C04 | H1 | 108.8° | 109.5° |
| C05 | C04 | H2 | 108.9° | 109.5° |
| C04 | C05 | H3 | 109.5° | 109.5° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| N03 | C04 | H1 | 108.9° | 109.5° |
| N03 | C04 | H2 | 108.9° | 109.4° |
| C04 | N03 | H27 | 121.1° | 120.0° |
| C24 | C23 | N22 | 132.1° | 133.2° |
| C23 | C24 | H20 | 120.2° | 120.0° |
| N19 | C20 | N22 | 108.2° | 109.8° |
| N19 | C20 | O21 | 125.9° | 125.1° |
| C23 | N22 | C20 | 107.4° | 108.4° |
| C23 | N22 | H29 | 126.3° | 125.8° |
| N22 | C20 | O21 | 125.9° | 125.1° |
| C20 | N22 | H29 | 126.3° | 125.8° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | C14 | H15 | 179.4° | 179.9° |
| C15 | C16 | C17 | H18 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C13 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.9° | 0.0° |
| C15 | C14 | C13 | N10 | 179.7° | 179.7° |
| C14 | C15 | C16 | H17 | 179.8° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C16 | C17 | C18 | C13 | 0.3° | 0.1° |
| C17 | C16 | C15 | H16 | 179.8° | 179.9° |
| C16 | C17 | C18 | H19 | 179.7° | 179.7° |
| C31 | C32 | N33 | H25 | 180.0° | 179.9° |
| C32 | C31 | C30 | H24 | 180.0° | 180.0° |
| C31 | C32 | N33 | C34 | 1.1° | 0.4° |
| C32 | C31 | C30 | C29 | 1.0° | 0.1° |
| C32 | C31 | C30 | H23 | 179.0° | 180.0° |
| N33 | C32 | C31 | C30 | 0.7° | 0.1° |
| C32 | N33 | C34 | C29 | 0.2° | 0.6° |
| N33 | C32 | C31 | H24 | 179.3° | 179.9° |
| C32 | N33 | C34 | H26 | 179.8° | 179.7° |
| C31 | C30 | C29 | H23 | 180.0° | 179.9° |
| C31 | C30 | C29 | C34 | 2.3° | 0.3° |
| C31 | C30 | C29 | C26 | 178.1° | 180.0° |
| C30 | C31 | C32 | H25 | 179.3° | 180.0° |
| N33 | C34 | C29 | C30 | 2.0° | 0.6° |
| N33 | C34 | C29 | H26 | 180.0° | 179.7° |
| N33 | C34 | C29 | C26 | 177.7° | 179.7° |
| C34 | N33 | C32 | H25 | 178.9° | 179.7° |
| C14 | C13 | C18 | C17 | 0.8° | 0.1° |
| C14 | C13 | C18 | N10 | 178.8° | 179.7° |
| C14 | C13 | N10 | C09 | 8.0° | 0.3° |
| C14 | C13 | N10 | C11 | 134.6° | 124.0° |
| C13 | C14 | C15 | H16 | 179.3° | 180.0° |
| C14 | C13 | C18 | H19 | 179.2° | 179.7° |
| C17 | C18 | C13 | H19 | 180.0° | 179.6° |
| C17 | C18 | C13 | N10 | 179.6° | 179.7° |
| C18 | C17 | C16 | H17 | 179.9° | 179.9° |
| C30 | C29 | C34 | C26 | 175.7° | 179.7° |
| C30 | C29 | C26 | C27 | 18.8° | 180.0° |
| C30 | C29 | C26 | C25 | 158.7° | 0.4° |
| C29 | C30 | C31 | H24 | 179.0° | 179.9° |
| C30 | C29 | C34 | H26 | 178.1° | 179.7° |
| C34 | C29 | C26 | C27 | 165.4° | 0.3° |
| C34 | C29 | C26 | C25 | 17.1° | 179.3° |
| C34 | C29 | C30 | H23 | 177.7° | 179.8° |
| C18 | C13 | N10 | C09 | 170.8° | 180.0° |
| C18 | C13 | N10 | C11 | 46.6° | 56.2° |
| C18 | C13 | C14 | H15 | 179.1° | 179.9° |
| C13 | C18 | C17 | H18 | 179.7° | 180.0° |
| C13 | N10 | C09 | C11 | 148.1° | 123.8° |
| C13 | N10 | C09 | C08 | 82.0° | 176.8° |
| C13 | N10 | C11 | C12 | 99.6° | 176.8° |
| C13 | N10 | C09 | H9 | 157.9° | 63.2° |
| C13 | N10 | C09 | H10 | 38.1° | 56.8° |
| C13 | N10 | C11 | H11 | 20.9° | 56.9° |
| C13 | N10 | C11 | H12 | 139.8° | 63.2° |
| N10 | C13 | C14 | H15 | 0.3° | 0.3° |
| N10 | C13 | C18 | H19 | 0.5° | 0.0° |
| C29 | C26 | C27 | C25 | 177.5° | 179.6° |
| C29 | C26 | C27 | C28 | 178.4° | 180.0° |
| C29 | C26 | C25 | C24 | 178.9° | 179.6° |
| C29 | C26 | C25 | H21 | 1.1° | 0.4° |
| C29 | C26 | C27 | H22 | 1.6° | 0.4° |
| C26 | C29 | C30 | H23 | 1.9° | 0.1° |
| C26 | C29 | C34 | H26 | 2.4° | 0.0° |
| N10 | C09 | C08 | H9 | 120.1° | 119.9° |
| N10 | C09 | C08 | H10 | 120.1° | 120.0° |
| N10 | C09 | C08 | N07 | 33.5° | 58.4° |
| C09 | N10 | C11 | C12 | 45.9° | 59.3° |
| N10 | C09 | C08 | H7 | 154.2° | 61.6° |
| N10 | C09 | C08 | H8 | 87.1° | 178.4° |
| N10 | C09 | H9 | H10 | 119.7° | 120.0° |
| C09 | N10 | C11 | H11 | 166.5° | 179.3° |
| C09 | N10 | C11 | H12 | 74.6° | 60.6° |
| C08 | C09 | N10 | C11 | 66.1° | 59.3° |
| C09 | C08 | N07 | H7 | 120.6° | 120.0° |
| C09 | C08 | N07 | H8 | 120.6° | 120.0° |
| C09 | C08 | N07 | C06 | 157.0° | 176.8° |
| C09 | C08 | N07 | C12 | 20.7° | 59.3° |
| C09 | C08 | H7 | H8 | 118.0° | 120.0° |
| C08 | C09 | H9 | H10 | 119.8° | 120.1° |
| N10 | C11 | C12 | N07 | 5.1° | 58.4° |
| N10 | C11 | C12 | H11 | 120.6° | 119.9° |
| N10 | C11 | C12 | H12 | 120.6° | 120.0° |
| C11 | N10 | C09 | H9 | 54.0° | 60.6° |
| C11 | N10 | C09 | H10 | 173.8° | 179.3° |
| N10 | C11 | H11 | H12 | 118.4° | 120.1° |
| N10 | C11 | C12 | H13 | 115.6° | 178.4° |
| N10 | C11 | C12 | H14 | 125.9° | 61.6° |
| C08 | N07 | C06 | C12 | 139.0° | 123.9° |
| C08 | N07 | C12 | C11 | 40.8° | 59.3° |
| C08 | N07 | C06 | C05 | 58.2° | 170.0° |
| C08 | N07 | C06 | H5 | 62.1° | 49.9° |
| C08 | N07 | C06 | H6 | 178.6° | 70.1° |
| N07 | C08 | H7 | H8 | 118.0° | 120.1° |
| N07 | C08 | C09 | H9 | 86.6° | 61.5° |
| N07 | C08 | C09 | H10 | 153.6° | 178.4° |
| C08 | N07 | C12 | H13 | 80.0° | 179.3° |
| C08 | N07 | C12 | H14 | 161.5° | 60.7° |
| C26 | C27 | C28 | H22 | 180.0° | 179.6° |
| C27 | C26 | C25 | C24 | 1.4° | 0.0° |
| C26 | C27 | C28 | N19 | 179.7° | 179.7° |
| C26 | C27 | C28 | C23 | 0.3° | 0.8° |
| C27 | C26 | C25 | H21 | 178.6° | 180.0° |
| C25 | C26 | C27 | C28 | 0.9° | 0.4° |
| C26 | C25 | C24 | H21 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.1° | 0.0° |
| C26 | C25 | C24 | H20 | 178.9° | 180.0° |
| C25 | C26 | C27 | H22 | 179.1° | 180.0° |
| C27 | C28 | N19 | C23 | 179.5° | 179.0° |
| C27 | C28 | N19 | C02 | 0.1° | 0.7° |
| C27 | C28 | C23 | C24 | 0.1° | 0.8° |
| C27 | C28 | N19 | C20 | 180.0° | 179.2° |
| C27 | C28 | C23 | N22 | 179.9° | 179.5° |
| O01 | C02 | N19 | C28 | 1.8° | 0.3° |
| O01 | C02 | N19 | N03 | 178.1° | 179.7° |
| O01 | C02 | N03 | C04 | 1.5° | 0.2° |
| O01 | C02 | N19 | C20 | 178.2° | 179.7° |
| O01 | C02 | N03 | H27 | 178.4° | 179.7° |
| C25 | C24 | C23 | C28 | 0.5° | 0.4° |
| C25 | C24 | C23 | H20 | 180.0° | 180.0° |
| C25 | C24 | C23 | N22 | 179.4° | 179.9° |
| C06 | N07 | C12 | C11 | 175.3° | 176.8° |
| N07 | C06 | C05 | H5 | 120.3° | 120.1° |
| N07 | C06 | C05 | H6 | 120.4° | 120.0° |
| N07 | C06 | C05 | C04 | 129.5° | 179.9° |
| N07 | C06 | C05 | H3 | 110.5° | 60.0° |
| N07 | C06 | C05 | H4 | 9.5° | 60.0° |
| N07 | C06 | H5 | H6 | 119.0° | 120.0° |
| C06 | N07 | C08 | H7 | 36.3° | 63.3° |
| C06 | N07 | C08 | H8 | 82.4° | 56.8° |
| C06 | N07 | C12 | H13 | 54.6° | 56.8° |
| C06 | N07 | C12 | H14 | 64.0° | 63.2° |
| N07 | C12 | C11 | H13 | 120.7° | 120.0° |
| N07 | C12 | C11 | H14 | 120.7° | 120.0° |
| C12 | N07 | C06 | C05 | 80.8° | 66.2° |
| C12 | N07 | C06 | H5 | 158.9° | 173.8° |
| C12 | N07 | C06 | H6 | 39.5° | 53.8° |
| C12 | N07 | C08 | H7 | 100.0° | 60.7° |
| C12 | N07 | C08 | H8 | 141.3° | 179.3° |
| N07 | C12 | C11 | H11 | 115.4° | 178.3° |
| N07 | C12 | C11 | H12 | 125.7° | 61.6° |
| N07 | C12 | H13 | H14 | 117.7° | 120.0° |
| C12 | C11 | H11 | H12 | 118.3° | 120.1° |
| C11 | C12 | H13 | H14 | 117.7° | 120.0° |
| C06 | C05 | C04 | H3 | 120.0° | 120.0° |
| C06 | C05 | C04 | H4 | 120.0° | 120.0° |
| C06 | C05 | C04 | N03 | 171.1° | 180.0° |
| C06 | C05 | C04 | H1 | 68.6° | 60.0° |
| C06 | C05 | C04 | H2 | 50.7° | 60.0° |
| C06 | C05 | H3 | H4 | 120.0° | 120.0° |
| C05 | C06 | H5 | H6 | 119.0° | 119.9° |
| C28 | N19 | C02 | C20 | 180.0° | 180.0° |
| C28 | N19 | C02 | N03 | 179.9° | 180.0° |
| N19 | C28 | C23 | C24 | 179.6° | 180.0° |
| N19 | C28 | C23 | N22 | 0.3° | 0.4° |
| C28 | N19 | C20 | N22 | 0.6° | 0.0° |
| C28 | N19 | C20 | O21 | 179.8° | 179.7° |
| N19 | C28 | C27 | H22 | 0.3° | 0.7° |
| C23 | C28 | N19 | C02 | 179.4° | 179.7° |
| C28 | C23 | C24 | N22 | 179.9° | 179.5° |
| C23 | C28 | N19 | C20 | 0.5° | 0.2° |
| C28 | C23 | N22 | C20 | 0.0° | 0.4° |
| C28 | C23 | C24 | H20 | 179.5° | 179.5° |
| C23 | C28 | C27 | H22 | 179.7° | 179.6° |
| C28 | C23 | N22 | H29 | 180.0° | 179.6° |
| N19 | C02 | N03 | C04 | 179.6° | 180.0° |
| C02 | N19 | C20 | N22 | 179.4° | 180.0° |
| C02 | N19 | C20 | O21 | 0.2° | 0.3° |
| N19 | C02 | N03 | H27 | 0.4° | 0.0° |
| C02 | N03 | C04 | C05 | 158.3° | 180.0° |
| C02 | N03 | C04 | H27 | 180.0° | 179.9° |
| N03 | C02 | N19 | C20 | 0.2° | 0.0° |
| C02 | N03 | C04 | H1 | 38.0° | 60.0° |
| C02 | N03 | C04 | H2 | 81.3° | 60.0° |
| C05 | C04 | N03 | H1 | 120.3° | 120.1° |
| C05 | C04 | N03 | H2 | 120.4° | 120.0° |
| C05 | C04 | H1 | H2 | 118.9° | 120.1° |
| C04 | C05 | H3 | H4 | 120.0° | 120.1° |
| C04 | C05 | C06 | H5 | 9.2° | 60.0° |
| C04 | C05 | C06 | H6 | 110.1° | 60.0° |
| C05 | C04 | N03 | H27 | 21.7° | 0.1° |
| N03 | C04 | H1 | H2 | 118.9° | 119.9° |
| N03 | C04 | C05 | H3 | 51.1° | 60.1° |
| N03 | C04 | C05 | H4 | 68.9° | 60.0° |
| C24 | C23 | N22 | C20 | 180.0° | 179.9° |
| C23 | C24 | C25 | H21 | 178.9° | 180.0° |
| C24 | C23 | N22 | H29 | 0.0° | 0.0° |
| N19 | C20 | N22 | C23 | 0.4° | 0.2° |
| N19 | C20 | N22 | O21 | 179.6° | 179.7° |
| N19 | C20 | N22 | H29 | 179.6° | 179.7° |
| C23 | N22 | C20 | H29 | 180.0° | 179.9° |
| C23 | N22 | C20 | O21 | 180.0° | 180.0° |
| N22 | C23 | C24 | H20 | 0.6° | 0.0° |
| O21 | C20 | N22 | H29 | 0.0° | 0.0° |
| H1 | C04 | C05 | H3 | 171.4° | 59.9° |
| H1 | C04 | C05 | H4 | 51.4° | 180.0° |
| H1 | C04 | N03 | H27 | 142.0° | 120.0° |
| H2 | C04 | C05 | H3 | 69.3° | 180.0° |
| H2 | C04 | C05 | H4 | 170.7° | 59.9° |
| H2 | C04 | N03 | H27 | 98.7° | 120.0° |
| H3 | C05 | C06 | H5 | 129.2° | 180.0° |
| H3 | C05 | C06 | H6 | 9.9° | 60.0° |
| H4 | C05 | C06 | H5 | 110.8° | 60.0° |
| H4 | C05 | C06 | H6 | 129.9° | 180.0° |
| H7 | C08 | C09 | H9 | 34.1° | 178.5° |
| H7 | C08 | C09 | H10 | 85.7° | 58.4° |
| H8 | C08 | C09 | H9 | 152.8° | 58.5° |
| H8 | C08 | C09 | H10 | 33.0° | 61.6° |
| H11 | C11 | C12 | H13 | 123.8° | 61.7° |
| H11 | C11 | C12 | H14 | 5.3° | 58.3° |
| H12 | C11 | C12 | H13 | 5.0° | 58.4° |
| H12 | C11 | C12 | H14 | 113.6° | 178.4° |
| H15 | C14 | C15 | H16 | 0.7° | 0.1° |
| H16 | C15 | C16 | H17 | 0.2° | 0.0° |
| H17 | C16 | C17 | H18 | 0.1° | 0.0° |
| H18 | C17 | C18 | H19 | 0.3° | 0.4° |
| H20 | C24 | C25 | H21 | 1.1° | 0.0° |
| H23 | C30 | C31 | H24 | 1.0° | 0.0° |
| H24 | C31 | C32 | H25 | 0.7° | 0.0° |
