A1AWG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C40 | doub | 1.36Å | 1.40Å | Aromatic |
| C41 | C37 | sing | 1.41Å | 1.42Å | Aromatic |
| C40 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C37 | doub | 1.40Å | 1.44Å | Aromatic |
| C08 | C05 | sing | 1.36Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.42Å | 1.37Å | Aromatic |
| C39 | C38 | doub | 1.36Å | 1.39Å | Aromatic |
| C36 | C38 | sing | 1.41Å | 1.41Å | Aromatic |
| C36 | C07 | doub | 1.41Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.36Å | 1.41Å | Aromatic |
| C07 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C03 | C01 | sing | 1.53Å | 1.51Å | |
| C03 | N02 | sing | 1.46Å | 1.45Å | |
| O16 | C15 | doub | 1.22Å | 1.16Å | |
| C15 | N02 | sing | 1.35Å | 1.45Å | |
| C15 | C13 | sing | 1.48Å | 1.53Å | |
| C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| O21 | C19 | doub | 1.21Å | 1.18Å | |
| C19 | N20 | sing | 1.35Å | 1.45Å | |
| N20 | N22 | sing | 1.40Å | 1.42Å | |
| N22 | C28 | sing | 1.35Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C25 | sing | 1.51Å | 1.53Å | |
| N26 | C25 | sing | 1.35Å | 1.47Å | |
| N26 | C30 | sing | 1.40Å | 1.46Å | |
| C28 | C24 | sing | 1.51Å | 1.54Å | |
| C28 | O29 | doub | 1.21Å | 1.18Å | |
| C25 | O27 | doub | 1.21Å | 1.18Å | |
| C30 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | N34 | sing | 1.32Å | 1.33Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| N34 | C33 | doub | 1.32Å | 1.32Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| N02 | H30 | sing | 0.97Å | 1.00Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å | |
| N22 | H32 | sing | 0.97Å | 1.00Å | |
| N26 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C41 | C37 | 118.7° | 119.7° |
| C41 | C40 | C39 | 122.2° | 121.0° |
| C41 | C40 | H28 | 118.9° | 119.6° |
| C40 | C41 | H29 | 120.7° | 120.1° |
| C41 | C37 | C08 | 121.0° | 121.3° |
| C41 | C37 | C36 | 118.2° | 119.3° |
| C37 | C41 | H29 | 120.6° | 120.2° |
| C40 | C39 | C38 | 119.0° | 121.0° |
| C40 | C39 | H27 | 120.5° | 119.5° |
| C39 | C40 | H28 | 118.9° | 119.5° |
| C37 | C08 | C05 | 120.3° | 119.6° |
| C08 | C37 | C36 | 120.8° | 119.4° |
| C37 | C08 | H14 | 119.9° | 120.2° |
| C08 | C05 | C06 | 118.4° | 121.0° |
| C08 | C05 | H12 | 120.8° | 119.5° |
| C05 | C08 | H14 | 119.9° | 120.2° |
| C37 | C36 | C38 | 123.7° | 119.4° |
| C37 | C36 | C07 | 118.8° | 119.3° |
| C39 | C38 | C36 | 118.2° | 119.6° |
| C39 | C38 | H26 | 120.9° | 120.2° |
| C38 | C39 | H27 | 120.5° | 119.5° |
| C38 | C36 | C07 | 117.5° | 121.3° |
| C36 | C38 | H26 | 120.9° | 120.2° |
| C36 | C07 | C06 | 121.3° | 119.7° |
| C36 | C07 | C04 | 115.4° | 120.2° |
| C05 | C06 | C07 | 120.3° | 121.0° |
| C06 | C05 | H12 | 120.8° | 119.5° |
| C05 | C06 | H13 | 119.8° | 119.5° |
| C06 | C07 | C04 | 123.3° | 120.1° |
| C07 | C06 | H13 | 119.8° | 119.6° |
| C07 | C04 | C03 | 105.1° | 109.5° |
| C07 | C04 | H10 | 110.5° | 109.5° |
| C07 | C04 | H11 | 110.6° | 109.5° |
| C04 | C03 | C01 | 101.3° | 109.5° |
| C04 | C03 | N02 | 109.6° | 109.5° |
| C04 | C03 | H9 | 111.2° | 109.5° |
| C03 | C04 | H10 | 110.6° | 109.5° |
| C03 | C04 | H11 | 110.6° | 109.5° |
| C01 | C03 | N02 | 111.0° | 109.5° |
| C03 | C01 | H6 | 109.5° | 109.5° |
| C03 | C01 | H7 | 109.5° | 109.5° |
| C03 | C01 | H8 | 109.5° | 109.5° |
| C01 | C03 | H9 | 111.2° | 109.4° |
| C03 | N02 | C15 | 120.7° | 120.0° |
| N02 | C03 | H9 | 112.1° | 109.5° |
| C03 | N02 | H30 | 119.6° | 120.0° |
| O16 | C15 | N02 | 118.8° | 120.0° |
| O16 | C15 | C13 | 119.3° | 120.0° |
| N02 | C15 | C13 | 121.9° | 120.0° |
| C15 | N02 | H30 | 119.7° | 120.0° |
| C15 | C13 | C14 | 118.8° | 120.1° |
| C15 | C13 | C12 | 120.6° | 120.1° |
| C13 | C14 | C09 | 119.0° | 119.9° |
| C14 | C13 | C12 | 120.6° | 119.7° |
| C13 | C14 | H17 | 120.5° | 120.1° |
| C14 | C09 | C10 | 121.2° | 120.1° |
| C14 | C09 | H15 | 119.4° | 120.0° |
| C09 | C14 | H17 | 120.5° | 120.0° |
| C13 | C12 | C17 | 121.3° | 120.1° |
| C13 | C12 | C11 | 119.9° | 119.8° |
| C09 | C10 | C11 | 119.7° | 120.3° |
| C09 | C10 | H1 | 120.2° | 119.8° |
| C10 | C09 | H15 | 119.4° | 119.9° |
| C17 | C12 | C11 | 118.8° | 120.1° |
| C12 | C17 | C18 | 107.7° | 109.5° |
| C12 | C17 | H2 | 109.9° | 109.5° |
| C12 | C17 | H3 | 109.9° | 109.5° |
| C12 | C11 | C10 | 119.7° | 120.1° |
| C12 | C11 | H16 | 120.2° | 119.9° |
| C17 | C18 | C19 | 115.1° | 109.5° |
| C18 | C17 | H2 | 109.9° | 109.5° |
| C18 | C17 | H3 | 109.9° | 109.4° |
| C17 | C18 | H18 | 108.1° | 109.5° |
| C17 | C18 | H19 | 108.0° | 109.4° |
| C11 | C10 | H1 | 120.2° | 119.8° |
| C10 | C11 | H16 | 120.2° | 119.9° |
| C18 | C19 | O21 | 120.9° | 120.0° |
| C18 | C19 | N20 | 118.9° | 120.0° |
| C19 | C18 | H18 | 108.1° | 109.5° |
| C19 | C18 | H19 | 108.1° | 109.5° |
| O21 | C19 | N20 | 120.2° | 120.0° |
| C19 | N20 | N22 | 120.0° | 120.0° |
| C19 | N20 | H31 | 120.0° | 120.0° |
| N20 | N22 | C28 | 118.9° | 120.0° |
| N22 | N20 | H31 | 120.0° | 120.0° |
| N20 | N22 | H32 | 120.6° | 120.0° |
| N22 | C28 | C24 | 121.4° | 120.0° |
| N22 | C28 | O29 | 117.8° | 120.0° |
| C28 | N22 | H32 | 120.5° | 120.0° |
| C24 | C23 | C25 | 112.2° | 109.5° |
| C23 | C24 | C28 | 120.1° | 109.5° |
| C23 | C24 | H4 | 106.7° | 109.5° |
| C23 | C24 | H5 | 106.7° | 109.5° |
| C24 | C23 | H20 | 108.8° | 109.4° |
| C24 | C23 | H21 | 108.8° | 109.5° |
| C23 | C25 | N26 | 120.8° | 120.0° |
| C23 | C25 | O27 | 121.2° | 120.0° |
| C25 | C23 | H20 | 108.8° | 109.5° |
| C25 | C23 | H21 | 108.8° | 109.5° |
| C25 | N26 | C30 | 114.0° | 120.0° |
| N26 | C25 | O27 | 118.0° | 120.0° |
| C25 | N26 | H33 | 123.0° | 120.0° |
| N26 | C30 | C35 | 118.2° | 120.5° |
| N26 | C30 | C31 | 121.2° | 120.5° |
| C30 | N26 | H33 | 123.0° | 120.0° |
| C24 | C28 | O29 | 120.7° | 120.0° |
| C28 | C24 | H4 | 106.8° | 109.5° |
| C28 | C24 | H5 | 106.8° | 109.5° |
| C35 | C30 | C31 | 120.6° | 119.0° |
| C30 | C35 | N34 | 120.3° | 120.6° |
| C30 | C35 | H25 | 119.8° | 119.7° |
| C30 | C31 | C32 | 116.9° | 118.3° |
| C30 | C31 | H22 | 121.5° | 120.8° |
| C35 | N34 | C33 | 121.5° | 121.8° |
| N34 | C35 | H25 | 119.9° | 119.7° |
| C31 | C32 | C33 | 120.2° | 119.3° |
| C32 | C31 | H22 | 121.5° | 120.8° |
| C31 | C32 | H23 | 119.9° | 120.4° |
| N34 | C33 | C32 | 120.4° | 120.9° |
| N34 | C33 | H24 | 119.8° | 119.6° |
| C33 | C32 | H23 | 119.9° | 120.4° |
| C32 | C33 | H24 | 119.8° | 119.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.4° |
| H6 | C01 | H8 | 109.4° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C41 | C37 | H29 | 180.0° | 179.0° |
| C41 | C40 | C39 | H28 | 180.0° | 179.3° |
| C40 | C41 | C37 | C08 | 179.5° | 179.0° |
| C40 | C41 | C37 | C36 | 0.1° | 0.5° |
| C41 | C40 | C39 | C38 | 0.3° | 0.7° |
| C41 | C40 | C39 | H27 | 179.7° | 179.3° |
| C37 | C41 | C40 | C39 | 0.1° | 1.0° |
| C41 | C37 | C08 | C36 | 179.4° | 179.5° |
| C41 | C37 | C08 | C05 | 179.8° | 180.0° |
| C41 | C37 | C36 | C38 | 0.1° | 0.2° |
| C41 | C37 | C36 | C07 | 180.0° | 179.8° |
| C41 | C37 | C08 | H14 | 0.2° | 0.5° |
| C37 | C41 | C40 | H28 | 179.9° | 179.8° |
| C40 | C39 | C38 | H27 | 180.0° | 180.0° |
| C40 | C39 | C38 | C36 | 0.2° | 0.0° |
| C40 | C39 | C38 | H26 | 179.8° | 180.0° |
| C39 | C40 | C41 | H29 | 179.9° | 180.0° |
| C37 | C08 | C05 | H14 | 180.0° | 179.5° |
| C08 | C37 | C36 | C38 | 179.5° | 179.7° |
| C08 | C37 | C36 | C07 | 0.5° | 0.7° |
| C37 | C08 | C05 | C06 | 0.3° | 0.0° |
| C37 | C08 | C05 | H12 | 179.7° | 179.7° |
| C08 | C37 | C41 | H29 | 0.5° | 0.0° |
| C05 | C08 | C37 | C36 | 0.4° | 0.5° |
| C08 | C05 | C06 | H12 | 180.0° | 179.7° |
| C08 | C05 | C06 | C07 | 0.4° | 0.2° |
| C08 | C05 | C06 | H13 | 179.6° | 179.8° |
| C37 | C36 | C38 | C39 | 0.1° | 0.5° |
| C37 | C36 | C38 | C07 | 179.9° | 179.5° |
| C37 | C36 | C07 | C06 | 0.6° | 0.5° |
| C37 | C36 | C07 | C04 | 179.7° | 179.5° |
| C36 | C37 | C08 | H14 | 179.6° | 180.0° |
| C37 | C36 | C38 | H26 | 180.0° | 179.5° |
| C36 | C37 | C41 | H29 | 179.9° | 179.5° |
| C39 | C38 | C36 | H26 | 180.0° | 180.0° |
| C39 | C38 | C36 | C07 | 179.9° | 180.0° |
| C38 | C39 | C40 | H28 | 179.7° | 180.0° |
| C38 | C36 | C07 | C06 | 179.4° | 180.0° |
| C38 | C36 | C07 | C04 | 0.4° | 0.0° |
| C36 | C38 | C39 | H27 | 179.8° | 180.0° |
| C36 | C07 | C06 | C05 | 0.6° | 0.0° |
| C36 | C07 | C06 | C04 | 179.0° | 180.0° |
| C36 | C07 | C04 | C03 | 163.7° | 80.3° |
| C36 | C07 | C04 | H10 | 77.0° | 159.6° |
| C36 | C07 | C04 | H11 | 44.3° | 39.8° |
| C36 | C07 | C06 | H13 | 179.4° | 180.0° |
| C07 | C36 | C38 | H26 | 0.1° | 0.0° |
| C05 | C06 | C07 | H13 | 180.0° | 180.0° |
| C05 | C06 | C07 | C04 | 179.6° | 180.0° |
| C06 | C05 | C08 | H14 | 179.7° | 179.5° |
| C06 | C07 | C04 | C03 | 15.4° | 99.6° |
| C06 | C07 | C04 | H10 | 103.9° | 20.4° |
| C06 | C07 | C04 | H11 | 134.7° | 140.3° |
| C07 | C06 | C05 | H12 | 179.6° | 180.0° |
| C07 | C04 | C03 | H10 | 119.3° | 120.0° |
| C07 | C04 | C03 | H11 | 119.3° | 120.0° |
| C07 | C04 | C03 | C01 | 127.0° | 175.9° |
| C07 | C04 | C03 | N02 | 115.6° | 64.1° |
| C07 | C04 | C03 | H9 | 8.8° | 55.9° |
| C07 | C04 | H10 | H11 | 122.0° | 119.9° |
| C04 | C07 | C06 | H13 | 0.4° | 0.0° |
| C04 | C03 | C01 | N02 | 116.3° | 120.0° |
| C04 | C03 | C01 | H9 | 118.2° | 120.0° |
| C04 | C03 | N02 | H9 | 123.9° | 120.0° |
| C04 | C03 | N02 | C15 | 66.9° | 157.6° |
| C04 | C03 | C01 | H6 | 180.0° | 180.0° |
| C04 | C03 | C01 | H7 | 60.0° | 60.0° |
| C04 | C03 | C01 | H8 | 60.0° | 60.1° |
| C03 | C04 | H10 | H11 | 122.0° | 120.0° |
| C04 | C03 | N02 | H30 | 113.1° | 22.3° |
| C01 | C03 | N02 | H9 | 125.0° | 120.0° |
| C01 | C03 | N02 | C15 | 177.9° | 82.4° |
| C03 | C01 | H6 | H7 | 120.0° | 120.1° |
| C03 | C01 | H6 | H8 | 120.0° | 120.0° |
| C03 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C03 | C04 | H10 | 7.7° | 64.1° |
| C01 | C03 | C04 | H11 | 113.7° | 55.8° |
| C01 | C03 | N02 | H30 | 2.0° | 97.7° |
| C03 | N02 | C15 | O16 | 0.6° | 0.1° |
| C03 | N02 | C15 | H30 | 180.0° | 179.9° |
| C03 | N02 | C15 | C13 | 179.4° | 180.0° |
| N02 | C03 | C01 | H6 | 63.7° | 60.0° |
| N02 | C03 | C01 | H7 | 176.3° | 180.0° |
| N02 | C03 | C01 | H8 | 56.3° | 60.0° |
| N02 | C03 | C04 | H10 | 125.1° | 55.9° |
| N02 | C03 | C04 | H11 | 3.7° | 175.8° |
| O16 | C15 | N02 | C13 | 180.0° | 179.9° |
| O16 | C15 | C13 | C14 | 68.5° | 174.2° |
| O16 | C15 | C13 | C12 | 110.1° | 5.8° |
| O16 | C15 | N02 | H30 | 179.4° | 180.0° |
| N02 | C15 | C13 | C14 | 111.5° | 5.7° |
| N02 | C15 | C13 | C12 | 69.8° | 174.3° |
| C15 | N02 | C03 | H9 | 57.0° | 37.6° |
| C15 | C13 | C14 | C12 | 178.7° | 179.9° |
| C15 | C13 | C14 | C09 | 179.5° | 179.2° |
| C15 | C13 | C12 | C17 | 0.8° | 0.1° |
| C15 | C13 | C12 | C11 | 179.6° | 179.5° |
| C15 | C13 | C14 | H17 | 0.5° | 0.0° |
| C13 | C15 | N02 | H30 | 0.5° | 0.1° |
| C13 | C14 | C09 | H17 | 180.0° | 179.2° |
| C13 | C14 | C09 | C10 | 0.1° | 0.5° |
| C14 | C13 | C12 | C17 | 179.5° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.5° |
| C13 | C14 | C09 | H15 | 179.9° | 179.5° |
| C09 | C14 | C13 | C12 | 0.8° | 0.7° |
| C14 | C09 | C10 | H15 | 180.0° | 179.9° |
| C14 | C09 | C10 | C11 | 0.4° | 0.1° |
| C14 | C09 | C10 | H1 | 179.6° | 179.7° |
| C13 | C12 | C17 | C11 | 179.6° | 179.5° |
| C13 | C12 | C17 | C18 | 137.0° | 81.1° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C17 | H2 | 103.3° | 158.9° |
| C13 | C12 | C17 | H3 | 17.3° | 38.9° |
| C13 | C12 | C11 | H16 | 179.6° | 179.9° |
| C12 | C13 | C14 | H17 | 179.2° | 180.0° |
| C09 | C10 | C11 | C12 | 0.2° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | H16 | 179.8° | 179.6° |
| C10 | C09 | C14 | H17 | 179.8° | 179.7° |
| C12 | C17 | C18 | H2 | 119.7° | 120.0° |
| C12 | C17 | C18 | H3 | 119.7° | 120.0° |
| C17 | C12 | C11 | C10 | 180.0° | 179.5° |
| C12 | C17 | C18 | C19 | 164.5° | 180.0° |
| C12 | C17 | H2 | H3 | 120.8° | 120.0° |
| C17 | C12 | C11 | H16 | 0.0° | 0.6° |
| C12 | C17 | C18 | H18 | 74.6° | 59.9° |
| C12 | C17 | C18 | H19 | 43.7° | 60.0° |
| C11 | C12 | C17 | C18 | 42.6° | 99.4° |
| C12 | C11 | C10 | H16 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 179.8° | 180.0° |
| C11 | C12 | C17 | H2 | 77.1° | 20.6° |
| C11 | C12 | C17 | H3 | 162.3° | 140.7° |
| C17 | C18 | C19 | H18 | 120.8° | 120.0° |
| C17 | C18 | C19 | H19 | 120.8° | 119.9° |
| C17 | C18 | C19 | O21 | 34.2° | 0.0° |
| C17 | C18 | C19 | N20 | 146.4° | 180.0° |
| C18 | C17 | H2 | H3 | 120.8° | 119.9° |
| C17 | C18 | H18 | H19 | 117.4° | 119.9° |
| C11 | C10 | C09 | H15 | 179.6° | 180.0° |
| C18 | C19 | O21 | N20 | 179.4° | 180.0° |
| C18 | C19 | N20 | N22 | 179.4° | 180.0° |
| C19 | C18 | C17 | H2 | 44.8° | 60.0° |
| C19 | C18 | C17 | H3 | 75.8° | 60.0° |
| C19 | C18 | H18 | H19 | 117.4° | 120.0° |
| C18 | C19 | N20 | H31 | 0.6° | 0.0° |
| O21 | C19 | N20 | N22 | 0.0° | 0.0° |
| O21 | C19 | C18 | H18 | 155.0° | 120.0° |
| O21 | C19 | C18 | H19 | 86.6° | 120.0° |
| O21 | C19 | N20 | H31 | 180.0° | 180.0° |
| C19 | N20 | N22 | H31 | 180.0° | 180.0° |
| C19 | N20 | N22 | C28 | 146.3° | 180.0° |
| N20 | C19 | C18 | H18 | 25.6° | 60.0° |
| N20 | C19 | C18 | H19 | 92.8° | 60.0° |
| C19 | N20 | N22 | H32 | 33.7° | 0.1° |
| N20 | N22 | C28 | H32 | 180.0° | 179.9° |
| N20 | N22 | C28 | C24 | 179.3° | 180.0° |
| N20 | N22 | C28 | O29 | 1.2° | 0.0° |
| N22 | C28 | C24 | C23 | 5.1° | 180.0° |
| N22 | C28 | C24 | O29 | 178.1° | 180.0° |
| N22 | C28 | C24 | H4 | 126.5° | 60.0° |
| N22 | C28 | C24 | H5 | 116.4° | 60.0° |
| C28 | N22 | N20 | H31 | 33.7° | 0.0° |
| C24 | C23 | C25 | H20 | 120.4° | 120.0° |
| C24 | C23 | C25 | H21 | 120.4° | 120.0° |
| C24 | C23 | C25 | N26 | 136.1° | 180.0° |
| C23 | C24 | C28 | H4 | 121.5° | 120.0° |
| C23 | C24 | C28 | H5 | 121.5° | 120.0° |
| C23 | C24 | C28 | O29 | 173.0° | 0.0° |
| C24 | C23 | C25 | O27 | 43.4° | 0.0° |
| C23 | C24 | H4 | H5 | 115.2° | 120.0° |
| C24 | C23 | H20 | H21 | 118.8° | 120.0° |
| C23 | C25 | N26 | O27 | 179.6° | 179.9° |
| C23 | C25 | N26 | C30 | 178.7° | 174.8° |
| C25 | C23 | C24 | C28 | 176.9° | 180.0° |
| C25 | C23 | C24 | H4 | 55.4° | 60.0° |
| C25 | C23 | C24 | H5 | 61.6° | 60.0° |
| C25 | C23 | H20 | H21 | 118.8° | 120.0° |
| C23 | C25 | N26 | H33 | 1.3° | 5.1° |
| C25 | N26 | C30 | H33 | 180.0° | 179.9° |
| C25 | N26 | C30 | C35 | 88.2° | 147.6° |
| C25 | N26 | C30 | C31 | 90.0° | 32.8° |
| N26 | C25 | C23 | H20 | 103.5° | 60.1° |
| N26 | C25 | C23 | H21 | 15.7° | 60.0° |
| C30 | N26 | C25 | O27 | 1.8° | 5.3° |
| N26 | C30 | C35 | C31 | 178.3° | 179.7° |
| N26 | C30 | C35 | N34 | 179.1° | 179.7° |
| N26 | C30 | C31 | C32 | 179.5° | 179.7° |
| N26 | C30 | C31 | H22 | 0.5° | 0.3° |
| N26 | C30 | C35 | H25 | 0.9° | 0.3° |
| C28 | C24 | H4 | H5 | 115.2° | 120.0° |
| C28 | C24 | C23 | H20 | 56.5° | 60.0° |
| C28 | C24 | C23 | H21 | 62.7° | 60.0° |
| C24 | C28 | N22 | H32 | 0.7° | 0.0° |
| O29 | C28 | C24 | H4 | 51.5° | 120.0° |
| O29 | C28 | C24 | H5 | 65.5° | 120.0° |
| O29 | C28 | N22 | H32 | 178.8° | 179.9° |
| O27 | C25 | C23 | H20 | 77.0° | 120.0° |
| O27 | C25 | C23 | H21 | 163.8° | 120.0° |
| O27 | C25 | N26 | H33 | 178.2° | 174.8° |
| C30 | C35 | N34 | H25 | 180.0° | 180.0° |
| C35 | C30 | C31 | C32 | 1.3° | 0.1° |
| C30 | C35 | N34 | C33 | 0.4° | 0.0° |
| C35 | C30 | C31 | H22 | 178.7° | 180.0° |
| C35 | C30 | N26 | H33 | 91.7° | 32.5° |
| C31 | C30 | C35 | N34 | 0.9° | 0.1° |
| C30 | C31 | C32 | H22 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 1.3° | 0.1° |
| C30 | C31 | C32 | H23 | 178.7° | 180.0° |
| C31 | C30 | C35 | H25 | 179.1° | 180.0° |
| C31 | C30 | N26 | H33 | 90.0° | 147.1° |
| C35 | N34 | C33 | C32 | 0.5° | 0.0° |
| C35 | N34 | C33 | H24 | 179.5° | 179.9° |
| C31 | C32 | C33 | N34 | 0.9° | 0.0° |
| C31 | C32 | C33 | H23 | 180.0° | 180.0° |
| C31 | C32 | C33 | H24 | 179.1° | 180.0° |
| N34 | C33 | C32 | H24 | 180.0° | 179.9° |
| N34 | C33 | C32 | H23 | 179.1° | 180.0° |
| C33 | N34 | C35 | H25 | 179.5° | 180.0° |
| C33 | C32 | C31 | H22 | 178.7° | 180.0° |
| H1 | C10 | C09 | H15 | 0.4° | 0.3° |
| H1 | C10 | C11 | H16 | 0.2° | 0.0° |
| H2 | C17 | C18 | H18 | 165.7° | 180.0° |
| H2 | C17 | C18 | H19 | 76.0° | 60.0° |
| H3 | C17 | C18 | H18 | 45.1° | 60.0° |
| H3 | C17 | C18 | H19 | 163.4° | 180.0° |
| H4 | C24 | C23 | H20 | 65.0° | 180.0° |
| H4 | C24 | C23 | H21 | 175.8° | 60.0° |
| H5 | C24 | C23 | H20 | 178.0° | 60.0° |
| H5 | C24 | C23 | H21 | 58.8° | 180.0° |
| H6 | C01 | H7 | H8 | 119.9° | 119.9° |
| H6 | C01 | C03 | H9 | 61.8° | 60.0° |
| H7 | C01 | C03 | H9 | 58.2° | 60.0° |
| H8 | C01 | C03 | H9 | 178.2° | 180.0° |
| H9 | C03 | C04 | H10 | 110.5° | 175.9° |
| H9 | C03 | C04 | H11 | 128.1° | 64.1° |
| H9 | C03 | N02 | H30 | 123.0° | 142.3° |
| H12 | C05 | C06 | H13 | 0.4° | 0.0° |
| H12 | C05 | C08 | H14 | 0.3° | 0.2° |
| H15 | C09 | C14 | H17 | 0.1° | 0.2° |
| H22 | C31 | C32 | H23 | 1.3° | 0.1° |
| H23 | C32 | C33 | H24 | 0.9° | 0.1° |
| H26 | C38 | C39 | H27 | 0.2° | 0.0° |
| H27 | C39 | C40 | H28 | 0.3° | 0.0° |
| H28 | C40 | C41 | H29 | 0.1° | 0.8° |
| H31 | N20 | N22 | H32 | 146.3° | 179.9° |
