W3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | O29 | sing | 1.43Å | 1.43Å | |
| O18 | C17 | sing | 1.43Å | 1.40Å | |
| C27 | N26 | sing | 1.47Å | 1.46Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| C24 | C23 | sing | 1.54Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| N26 | C25 | sing | 1.47Å | 1.45Å | |
| N26 | C31 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.50Å | |
| C17 | C16 | sing | 1.51Å | 1.48Å | |
| C25 | C32 | sing | 1.55Å | 1.54Å | |
| C25 | C33 | sing | 1.55Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.50Å | |
| C23 | C32 | sing | 1.55Å | 1.54Å | |
| C23 | N15 | sing | 1.47Å | 1.45Å | |
| C23 | C33 | sing | 1.55Å | 1.54Å | |
| C16 | N15 | sing | 1.35Å | 1.36Å | Aromatic |
| C16 | N22 | doub | 1.30Å | 1.31Å | Aromatic |
| N15 | C14 | sing | 1.37Å | 1.37Å | Aromatic |
| N22 | C13 | sing | 1.35Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C5 | sing | 1.48Å | 1.45Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | O8 | sing | 1.36Å | 1.39Å | |
| C2 | N1 | sing | 1.39Å | 1.40Å | |
| O8 | C9 | sing | 1.43Å | 1.41Å | |
| F10 | C9 | sing | 1.40Å | 1.36Å | |
| C9 | F12 | sing | 1.40Å | 1.36Å | |
| C9 | F11 | sing | 1.40Å | 1.35Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C33 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| O18 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | O29 | 109.7° | 109.3° |
| C28 | C27 | N26 | 109.2° | 109.2° |
| C28 | C27 | H12 | 109.5° | 109.6° |
| C28 | C27 | H13 | 109.6° | 109.5° |
| C27 | C28 | H16 | 109.4° | 109.4° |
| C27 | C28 | H17 | 109.4° | 109.5° |
| C28 | O29 | C30 | 113.8° | 113.7° |
| O29 | C28 | H16 | 109.4° | 109.5° |
| O29 | C28 | H17 | 109.4° | 109.6° |
| O18 | C17 | C19 | 107.4° | 109.5° |
| O18 | C17 | C16 | 103.2° | 109.5° |
| O18 | C17 | H26 | 110.9° | 109.4° |
| C17 | O18 | H29 | 109.5° | 113.9° |
| C27 | N26 | C25 | 110.6° | 111.0° |
| C27 | N26 | C31 | 108.8° | 110.8° |
| N26 | C27 | H12 | 109.6° | 109.5° |
| N26 | C27 | H13 | 109.5° | 109.5° |
| O29 | C30 | C31 | 113.1° | 109.2° |
| O29 | C30 | H18 | 108.5° | 109.5° |
| O29 | C30 | H19 | 108.5° | 109.6° |
| C25 | C24 | C23 | 75.3° | 78.9° |
| C24 | C25 | N26 | 123.8° | 129.0° |
| C24 | C25 | C32 | 87.8° | 84.5° |
| C24 | C25 | C33 | 87.7° | 84.5° |
| C25 | C24 | H6 | 117.2° | 114.9° |
| C25 | C24 | H7 | 117.2° | 115.0° |
| C24 | C23 | C32 | 87.1° | 84.5° |
| C24 | C23 | N15 | 124.0° | 129.0° |
| C24 | C23 | C33 | 86.9° | 84.5° |
| C23 | C24 | H6 | 117.2° | 114.9° |
| C23 | C24 | H7 | 117.2° | 114.9° |
| C20 | C19 | C17 | 107.6° | 109.5° |
| C20 | C19 | C21 | 107.2° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.4° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C19 | C20 | H22 | 109.5° | 109.4° |
| C20 | C19 | H27 | 110.9° | 109.5° |
| C25 | N26 | C31 | 109.8° | 111.0° |
| N26 | C25 | C32 | 128.4° | 129.1° |
| N26 | C25 | C33 | 129.1° | 130.0° |
| N26 | C31 | C30 | 108.1° | 109.3° |
| N26 | C31 | H14 | 109.8° | 109.5° |
| N26 | C31 | H15 | 109.8° | 109.5° |
| C30 | C31 | H14 | 109.8° | 109.5° |
| C30 | C31 | H15 | 109.8° | 109.5° |
| C31 | C30 | H18 | 108.6° | 109.5° |
| C31 | C30 | H19 | 108.6° | 109.5° |
| C19 | C17 | C16 | 116.0° | 109.5° |
| C17 | C19 | C21 | 108.6° | 109.5° |
| C19 | C17 | H26 | 109.5° | 109.5° |
| C17 | C19 | H27 | 111.2° | 109.4° |
| C17 | C16 | N15 | 123.7° | 125.5° |
| C17 | C16 | N22 | 126.3° | 125.5° |
| C16 | C17 | H26 | 109.7° | 109.5° |
| C32 | C25 | C33 | 86.6° | 83.2° |
| C25 | C32 | C23 | 74.3° | 78.6° |
| C25 | C32 | H8 | 117.4° | 115.0° |
| C25 | C32 | H9 | 117.4° | 115.0° |
| C25 | C33 | C23 | 74.5° | 78.6° |
| C25 | C33 | H10 | 117.3° | 115.0° |
| C25 | C33 | H11 | 117.3° | 115.0° |
| C19 | C21 | H23 | 109.5° | 109.5° |
| C19 | C21 | H24 | 109.5° | 109.5° |
| C19 | C21 | H25 | 109.4° | 109.4° |
| C21 | C19 | H27 | 111.1° | 109.5° |
| C32 | C23 | N15 | 129.8° | 129.1° |
| C32 | C23 | C33 | 85.9° | 83.2° |
| C23 | C32 | H8 | 117.4° | 115.0° |
| C23 | C32 | H9 | 117.4° | 115.0° |
| N15 | C23 | C33 | 128.9° | 130.0° |
| C23 | N15 | C16 | 128.3° | 126.3° |
| C23 | N15 | C14 | 123.2° | 126.3° |
| C23 | C33 | H10 | 117.3° | 115.1° |
| C23 | C33 | H11 | 117.4° | 114.9° |
| N15 | C16 | N22 | 110.1° | 109.0° |
| C16 | N15 | C14 | 108.4° | 107.4° |
| C16 | N22 | C13 | 107.1° | 109.2° |
| N15 | C14 | C13 | 105.6° | 106.7° |
| N15 | C14 | H2 | 127.2° | 126.6° |
| N22 | C13 | C14 | 108.8° | 107.7° |
| N22 | C13 | C5 | 124.6° | 126.1° |
| C14 | C13 | C5 | 126.5° | 126.2° |
| C13 | C14 | H2 | 127.2° | 126.6° |
| C13 | C5 | C4 | 120.1° | 120.4° |
| C13 | C5 | C6 | 124.0° | 120.5° |
| C4 | C5 | C6 | 115.8° | 119.1° |
| C5 | C4 | N3 | 124.6° | 120.8° |
| C5 | C4 | H1 | 117.7° | 119.6° |
| C5 | C6 | C7 | 121.4° | 118.3° |
| C5 | C6 | H3 | 119.3° | 120.9° |
| C4 | N3 | C2 | 119.1° | 121.8° |
| N3 | C4 | H1 | 117.7° | 119.7° |
| C6 | C7 | C2 | 117.8° | 119.1° |
| C6 | C7 | O8 | 126.8° | 120.4° |
| C7 | C6 | H3 | 119.3° | 120.8° |
| N3 | C2 | C7 | 121.2° | 120.8° |
| N3 | C2 | N1 | 120.0° | 119.6° |
| C2 | C7 | O8 | 115.3° | 120.5° |
| C7 | C2 | N1 | 118.8° | 119.6° |
| C7 | O8 | C9 | 117.2° | 117.1° |
| C2 | N1 | H4 | 109.5° | 120.0° |
| C2 | N1 | H5 | 109.5° | 119.9° |
| O8 | C9 | F10 | 114.9° | 109.5° |
| O8 | C9 | F12 | 109.1° | 109.4° |
| O8 | C9 | F11 | 103.7° | 109.4° |
| F10 | C9 | F12 | 103.8° | 109.5° |
| F10 | C9 | F11 | 115.6° | 109.5° |
| F12 | C9 | F11 | 109.8° | 109.5° |
| H4 | N1 | H5 | 109.5° | 120.0° |
| H6 | C24 | H7 | 109.5° | 113.9° |
| H8 | C32 | H9 | 109.5° | 113.8° |
| H10 | C33 | H11 | 109.5° | 113.8° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C30 | H19 | 109.5° | 109.6° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H20 | C20 | H22 | 109.4° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.6° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | O29 | H16 | 120.0° | 119.9° |
| C27 | C28 | O29 | H17 | 120.1° | 120.0° |
| C28 | C27 | N26 | H12 | 120.0° | 119.9° |
| C28 | C27 | N26 | H13 | 120.0° | 120.0° |
| C27 | C28 | O29 | C30 | 52.4° | 58.7° |
| C28 | C27 | N26 | C25 | 174.7° | 177.6° |
| C28 | C27 | N26 | C31 | 64.6° | 58.6° |
| C28 | C27 | H12 | H13 | 120.1° | 120.2° |
| C27 | C28 | H16 | H17 | 119.9° | 120.1° |
| O29 | C28 | C27 | N26 | 58.9° | 56.9° |
| C28 | O29 | C30 | C31 | 51.4° | 58.7° |
| O29 | C28 | C27 | H12 | 178.8° | 176.8° |
| O29 | C28 | C27 | H13 | 61.1° | 63.1° |
| O29 | C28 | H16 | H17 | 119.9° | 120.2° |
| C28 | O29 | C30 | H18 | 171.9° | 61.1° |
| C28 | O29 | C30 | H19 | 69.1° | 178.6° |
| O18 | C17 | C19 | C20 | 59.7° | 180.0° |
| O18 | C17 | C19 | C16 | 114.8° | 120.0° |
| O18 | C17 | C19 | H26 | 120.5° | 119.9° |
| O18 | C17 | C16 | H26 | 118.2° | 120.0° |
| O18 | C17 | C19 | C21 | 175.5° | 60.0° |
| O18 | C17 | C16 | N15 | 93.1° | 135.0° |
| O18 | C17 | C16 | N22 | 87.0° | 45.0° |
| O18 | C17 | C19 | H27 | 61.9° | 60.0° |
| C27 | N26 | C25 | C24 | 59.1° | 180.0° |
| C27 | N26 | C25 | C31 | 120.1° | 123.6° |
| C27 | N26 | C31 | C30 | 61.0° | 58.6° |
| C27 | N26 | C25 | C32 | 177.2° | 60.2° |
| C27 | N26 | C25 | C33 | 59.6° | 58.8° |
| N26 | C27 | H12 | H13 | 120.1° | 120.1° |
| C27 | N26 | C31 | H14 | 179.2° | 61.3° |
| C27 | N26 | C31 | H15 | 58.8° | 178.6° |
| N26 | C27 | C28 | H16 | 178.9° | 176.8° |
| N26 | C27 | C28 | H17 | 61.2° | 63.1° |
| O29 | C30 | C31 | N26 | 54.4° | 56.9° |
| O29 | C30 | C31 | H18 | 120.5° | 119.9° |
| O29 | C30 | C31 | H19 | 120.5° | 120.0° |
| O29 | C30 | C31 | H14 | 174.2° | 63.1° |
| O29 | C30 | C31 | H15 | 65.3° | 176.8° |
| C30 | O29 | C28 | H16 | 172.5° | 178.6° |
| C30 | O29 | C28 | H17 | 67.6° | 61.2° |
| O29 | C30 | H18 | H19 | 118.3° | 120.2° |
| C25 | C24 | C23 | H6 | 113.3° | 112.5° |
| C25 | C24 | C23 | H7 | 113.4° | 112.5° |
| C24 | C25 | N26 | C32 | 118.1° | 119.8° |
| C24 | C25 | N26 | C33 | 118.8° | 121.2° |
| C24 | C25 | N26 | C31 | 179.2° | 56.3° |
| C24 | C25 | C32 | C33 | 87.9° | 85.1° |
| C25 | C24 | C23 | C32 | 43.1° | 41.9° |
| C25 | C24 | C23 | N15 | 179.2° | 179.3° |
| C25 | C24 | C23 | C33 | 42.9° | 41.8° |
| C25 | C24 | H6 | H7 | 136.7° | 135.6° |
| C24 | C25 | C32 | H8 | 156.1° | 70.6° |
| C24 | C25 | C32 | H9 | 70.1° | 154.2° |
| C24 | C25 | C33 | H10 | 70.1° | 154.2° |
| C24 | C25 | C33 | H11 | 156.2° | 70.6° |
| C23 | C24 | C25 | N26 | 179.5° | 179.3° |
| C24 | C23 | C32 | N15 | 133.4° | 137.5° |
| C24 | C23 | C32 | C33 | 87.1° | 85.1° |
| C24 | C23 | N15 | C33 | 117.5° | 121.2° |
| C24 | C23 | N15 | C16 | 72.1° | 180.0° |
| C24 | C23 | N15 | C14 | 104.8° | 0.5° |
| C23 | C24 | H6 | H7 | 136.6° | 135.5° |
| C24 | C23 | C32 | H8 | 155.8° | 70.7° |
| C24 | C23 | C32 | H9 | 70.4° | 154.2° |
| C24 | C23 | C33 | H10 | 70.4° | 154.2° |
| C24 | C23 | C33 | H11 | 155.9° | 70.7° |
| C20 | C19 | C17 | C21 | 115.7° | 120.0° |
| C20 | C19 | C17 | H27 | 121.7° | 120.0° |
| C20 | C19 | C17 | C16 | 174.5° | 60.0° |
| C20 | C19 | C21 | H27 | 121.3° | 120.1° |
| C19 | C20 | H20 | H21 | 120.0° | 119.9° |
| C19 | C20 | H20 | H22 | 120.0° | 120.0° |
| C19 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C19 | C21 | H23 | 180.0° | 59.9° |
| C20 | C19 | C21 | H24 | 60.0° | 180.0° |
| C20 | C19 | C21 | H25 | 60.0° | 60.0° |
| C20 | C19 | C17 | H26 | 60.8° | 60.0° |
| C25 | N26 | C31 | C30 | 177.8° | 177.6° |
| N26 | C25 | C32 | C33 | 139.4° | 137.6° |
| N26 | C25 | C32 | C23 | 175.8° | 179.1° |
| N26 | C25 | C33 | C23 | 176.2° | 179.8° |
| N26 | C25 | C24 | H6 | 66.2° | 68.3° |
| N26 | C25 | C24 | H7 | 67.1° | 66.9° |
| N26 | C25 | C32 | H8 | 71.1° | 66.7° |
| N26 | C25 | C32 | H9 | 62.6° | 68.4° |
| N26 | C25 | C33 | H10 | 63.0° | 67.7° |
| N26 | C25 | C33 | H11 | 70.6° | 67.4° |
| C25 | N26 | C27 | H12 | 54.7° | 57.6° |
| C25 | N26 | C27 | H13 | 65.3° | 62.5° |
| C25 | N26 | C31 | H14 | 58.0° | 62.5° |
| C25 | N26 | C31 | H15 | 62.4° | 57.7° |
| N26 | C31 | C30 | H14 | 119.8° | 120.0° |
| N26 | C31 | C30 | H15 | 119.8° | 120.0° |
| C31 | N26 | C25 | C32 | 62.7° | 63.5° |
| C31 | N26 | C25 | C33 | 60.5° | 177.6° |
| C31 | N26 | C27 | H12 | 175.5° | 178.6° |
| C31 | N26 | C27 | H13 | 55.4° | 61.3° |
| N26 | C31 | H14 | H15 | 120.7° | 120.1° |
| N26 | C31 | C30 | H18 | 175.0° | 63.0° |
| N26 | C31 | C30 | H19 | 66.1° | 176.8° |
| C30 | C31 | H14 | H15 | 120.6° | 120.1° |
| C31 | C30 | H18 | H19 | 118.4° | 120.1° |
| C19 | C17 | C16 | H26 | 124.6° | 120.0° |
| C17 | C19 | C21 | H27 | 122.7° | 120.0° |
| C19 | C17 | C16 | N15 | 149.8° | 105.0° |
| C19 | C17 | C16 | N22 | 30.1° | 75.0° |
| C17 | C19 | C20 | H20 | 180.0° | 180.0° |
| C17 | C19 | C20 | H21 | 60.0° | 60.0° |
| C17 | C19 | C20 | H22 | 60.0° | 60.0° |
| C17 | C19 | C21 | H23 | 64.0° | 60.0° |
| C17 | C19 | C21 | H24 | 56.0° | 60.0° |
| C17 | C19 | C21 | H25 | 176.0° | 180.0° |
| C19 | C17 | O18 | H29 | 180.0° | 60.0° |
| C16 | C17 | C19 | C21 | 69.8° | 180.0° |
| C17 | C16 | N15 | C23 | 1.4° | 0.1° |
| C17 | C16 | N15 | N22 | 179.9° | 180.0° |
| C17 | C16 | N15 | C14 | 178.7° | 179.6° |
| C17 | C16 | N22 | C13 | 179.4° | 179.8° |
| C16 | C17 | C19 | H27 | 52.8° | 60.0° |
| C16 | C17 | O18 | H29 | 57.0° | 60.0° |
| C25 | C32 | C23 | H8 | 113.1° | 112.4° |
| C25 | C32 | C23 | H9 | 113.1° | 112.5° |
| C25 | C32 | C23 | N15 | 176.1° | 179.2° |
| C32 | C25 | C33 | C23 | 44.8° | 43.3° |
| C32 | C25 | C24 | H6 | 70.0° | 154.3° |
| C32 | C25 | C24 | H7 | 156.7° | 70.6° |
| C25 | C32 | H8 | H9 | 137.2° | 135.7° |
| C32 | C25 | C33 | H10 | 158.0° | 69.2° |
| C32 | C25 | C33 | H11 | 68.3° | 155.7° |
| C25 | C33 | C23 | N15 | 175.3° | 179.9° |
| C25 | C33 | C23 | H10 | 113.2° | 112.4° |
| C25 | C33 | C23 | H11 | 113.2° | 112.4° |
| C33 | C25 | C24 | H6 | 156.7° | 70.6° |
| C33 | C25 | C24 | H7 | 70.0° | 154.3° |
| C33 | C25 | C32 | H8 | 68.3° | 155.7° |
| C33 | C25 | C32 | H9 | 158.0° | 69.1° |
| C25 | C33 | H10 | H11 | 137.0° | 135.6° |
| C21 | C19 | C20 | H20 | 63.4° | 60.0° |
| C21 | C19 | C20 | H21 | 56.7° | 180.0° |
| C21 | C19 | C20 | H22 | 176.7° | 60.0° |
| C19 | C21 | H23 | H24 | 120.0° | 120.0° |
| C19 | C21 | H23 | H25 | 120.0° | 120.0° |
| C19 | C21 | H24 | H25 | 120.0° | 120.0° |
| C21 | C19 | C17 | H26 | 55.0° | 60.0° |
| C32 | C23 | N15 | C33 | 123.6° | 118.8° |
| C32 | C23 | N15 | C16 | 46.9° | 60.1° |
| C32 | C23 | N15 | C14 | 136.3° | 119.5° |
| C32 | C23 | C24 | H6 | 70.3° | 154.3° |
| C32 | C23 | C24 | H7 | 156.4° | 70.7° |
| C23 | C32 | H8 | H9 | 137.1° | 135.6° |
| C32 | C23 | C33 | H10 | 157.8° | 69.1° |
| C32 | C23 | C33 | H11 | 68.6° | 155.8° |
| C23 | N15 | C16 | C14 | 177.2° | 179.6° |
| C23 | N15 | C16 | N22 | 178.6° | 180.0° |
| C23 | N15 | C14 | C13 | 178.9° | 180.0° |
| C23 | N15 | C14 | H2 | 1.1° | 0.3° |
| N15 | C23 | C24 | H6 | 67.5° | 68.2° |
| N15 | C23 | C24 | H7 | 65.8° | 66.8° |
| N15 | C23 | C32 | H8 | 70.8° | 66.8° |
| N15 | C23 | C32 | H9 | 63.0° | 68.3° |
| N15 | C23 | C33 | H10 | 62.1° | 67.7° |
| N15 | C23 | C33 | H11 | 71.5° | 67.5° |
| C33 | C23 | N15 | C16 | 170.5° | 58.7° |
| C33 | C23 | N15 | C14 | 12.7° | 121.7° |
| C33 | C23 | C24 | H6 | 156.3° | 70.6° |
| C33 | C23 | C24 | H7 | 70.4° | 154.4° |
| C33 | C23 | C32 | H8 | 68.7° | 155.8° |
| C33 | C23 | C32 | H9 | 157.5° | 69.1° |
| C23 | C33 | H10 | H11 | 137.0° | 135.7° |
| N15 | C16 | N22 | C13 | 0.7° | 0.2° |
| C16 | N15 | C14 | C13 | 1.5° | 0.4° |
| C16 | N15 | C14 | H2 | 178.5° | 179.9° |
| N15 | C16 | C17 | H26 | 25.1° | 15.0° |
| N22 | C16 | N15 | C14 | 1.4° | 0.4° |
| C16 | N22 | C13 | C14 | 0.2° | 0.1° |
| C16 | N22 | C13 | C5 | 177.3° | 180.0° |
| N22 | C16 | C17 | H26 | 154.8° | 164.9° |
| N15 | C14 | C13 | N22 | 1.1° | 0.3° |
| N15 | C14 | C13 | H2 | 180.0° | 179.7° |
| N15 | C14 | C13 | C5 | 178.0° | 179.8° |
| N22 | C13 | C14 | C5 | 177.0° | 180.0° |
| N22 | C13 | C5 | C4 | 161.5° | 175.0° |
| N22 | C13 | C5 | C6 | 15.4° | 5.0° |
| N22 | C13 | C14 | H2 | 179.0° | 180.0° |
| C14 | C13 | C5 | C4 | 15.0° | 5.1° |
| C14 | C13 | C5 | C6 | 168.1° | 175.0° |
| C13 | C5 | C4 | C6 | 177.1° | 179.9° |
| C13 | C5 | C4 | N3 | 178.3° | 180.0° |
| C13 | C5 | C6 | C7 | 178.4° | 179.9° |
| C13 | C5 | C4 | H1 | 1.7° | 0.4° |
| C5 | C13 | C14 | H2 | 2.0° | 0.1° |
| C13 | C5 | C6 | H3 | 1.6° | 0.0° |
| C5 | C4 | N3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 1.4° | 0.0° |
| C5 | C4 | N3 | C2 | 1.3° | 0.0° |
| C4 | C5 | C6 | H3 | 178.6° | 179.9° |
| C6 | C5 | C4 | N3 | 1.2° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 1.7° | 0.0° |
| C5 | C6 | C7 | O8 | 178.0° | 180.0° |
| C6 | C5 | C4 | H1 | 178.8° | 179.7° |
| C4 | N3 | C2 | C7 | 1.6° | 0.1° |
| C4 | N3 | C2 | N1 | 179.5° | 180.0° |
| C6 | C7 | C2 | N3 | 1.8° | 0.1° |
| C6 | C7 | C2 | O8 | 176.8° | 180.0° |
| C6 | C7 | C2 | N1 | 179.3° | 180.0° |
| C6 | C7 | O8 | C9 | 55.9° | 0.0° |
| N3 | C2 | C7 | N1 | 178.9° | 179.9° |
| N3 | C2 | C7 | O8 | 178.5° | 179.9° |
| C2 | N3 | C4 | H1 | 178.7° | 179.7° |
| N3 | C2 | N1 | H4 | 0.0° | 179.9° |
| N3 | C2 | N1 | H5 | 120.0° | 0.0° |
| C2 | C7 | O8 | C9 | 127.6° | 180.0° |
| C2 | C7 | C6 | H3 | 178.3° | 180.0° |
| C7 | C2 | N1 | H4 | 179.0° | 0.0° |
| C7 | C2 | N1 | H5 | 59.0° | 179.9° |
| O8 | C7 | C2 | N1 | 2.5° | 0.0° |
| C7 | O8 | C9 | F10 | 62.8° | 180.0° |
| C7 | O8 | C9 | F12 | 178.8° | 60.0° |
| C7 | O8 | C9 | F11 | 64.3° | 60.0° |
| O8 | C7 | C6 | H3 | 2.0° | 0.0° |
| C2 | N1 | H4 | H5 | 120.0° | 179.9° |
| O8 | C9 | F10 | F12 | 119.0° | 120.0° |
| O8 | C9 | F10 | F11 | 120.7° | 120.0° |
| O8 | C9 | F12 | F11 | 113.0° | 119.9° |
| F10 | C9 | F12 | F11 | 124.1° | 120.1° |
| H12 | C27 | C28 | H16 | 61.1° | 63.3° |
| H12 | C27 | C28 | H17 | 58.8° | 56.7° |
| H13 | C27 | C28 | H16 | 59.0° | 56.9° |
| H13 | C27 | C28 | H17 | 178.9° | 176.9° |
| H14 | C31 | C30 | H18 | 65.2° | 177.0° |
| H14 | C31 | C30 | H19 | 53.7° | 56.9° |
| H15 | C31 | C30 | H18 | 55.2° | 56.9° |
| H15 | C31 | C30 | H19 | 174.1° | 63.2° |
| H20 | C20 | H21 | H22 | 120.0° | 120.1° |
| H20 | C20 | C19 | H27 | 58.1° | 60.0° |
| H21 | C20 | C19 | H27 | 178.1° | 59.9° |
| H22 | C20 | C19 | H27 | 61.9° | 180.0° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H23 | C21 | C19 | H27 | 58.7° | 180.0° |
| H24 | C21 | C19 | H27 | 178.7° | 60.0° |
| H25 | C21 | C19 | H27 | 61.3° | 60.0° |
| H26 | C17 | C19 | H27 | 177.6° | 179.9° |
| H26 | C17 | O18 | H29 | 60.4° | 180.0° |
