9WT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C27 | doub | 1.21Å | 1.23Å | |
| O03 | C25 | doub | 1.21Å | 1.21Å | |
| C19 | N08 | sing | 1.47Å | 1.53Å | |
| S02 | C30 | sing | 1.76Å | 1.72Å | Aromatic |
| S02 | C31 | sing | 1.76Å | 1.74Å | Aromatic |
| C18 | C17 | sing | 1.55Å | 1.54Å | |
| C18 | C15 | sing | 1.54Å | 1.48Å | |
| C30 | C29 | doub | 1.35Å | 1.37Å | Aromatic |
| N13 | C31 | sing | 1.38Å | 1.35Å | |
| C31 | N12 | doub | 1.30Å | 1.32Å | Aromatic |
| C25 | N09 | sing | 1.33Å | 1.40Å | |
| C25 | C22 | sing | 1.51Å | 1.54Å | |
| C27 | C28 | sing | 1.48Å | 1.51Å | |
| C27 | N10 | sing | 1.35Å | 1.35Å | |
| C29 | N12 | sing | 1.33Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.48Å | 1.49Å | |
| C17 | C14 | sing | 1.55Å | 1.53Å | |
| C15 | N08 | sing | 1.47Å | 1.48Å | |
| C23 | N09 | sing | 1.40Å | 1.42Å | |
| C23 | C20 | doub | 1.33Å | 1.36Å | |
| C23 | C26 | sing | 1.47Å | 1.54Å | |
| N08 | C14 | sing | 1.48Å | 1.52Å | |
| N08 | C16 | sing | 1.47Å | 1.53Å | |
| C28 | N11 | doub | 1.30Å | 1.31Å | |
| N09 | C21 | sing | 1.49Å | 1.44Å | |
| C20 | C24 | sing | 1.49Å | 1.53Å | |
| C20 | C16 | sing | 1.51Å | 1.54Å | |
| C26 | O05 | doub | 1.21Å | 1.26Å | |
| C26 | O04 | sing | 1.35Å | 1.26Å | |
| C24 | S01 | sing | 1.82Å | 1.82Å | |
| C22 | N10 | sing | 1.46Å | 1.47Å | |
| C22 | C21 | sing | 1.52Å | 1.57Å | |
| N11 | O07 | sing | 1.42Å | 1.41Å | |
| S01 | C21 | sing | 1.82Å | 1.79Å | |
| O07 | C32 | sing | 1.43Å | 1.43Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| N10 | H2 | sing | 0.97Å | 1.00Å | |
| N13 | H3 | sing | 0.97Å | 1.00Å | |
| N13 | H4 | sing | 0.97Å | 1.00Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C27 | C28 | 122.4° | 120.0° |
| O06 | C27 | N10 | 120.8° | 120.0° |
| O03 | C25 | N09 | 134.1° | 132.0° |
| O03 | C25 | C22 | 136.0° | 132.0° |
| C19 | N08 | C15 | 112.8° | 109.5° |
| C19 | N08 | C14 | 107.5° | 109.7° |
| C19 | N08 | C16 | 110.2° | 109.7° |
| N08 | C19 | H15 | 109.5° | 109.5° |
| N08 | C19 | H16 | 109.5° | 109.5° |
| N08 | C19 | H17 | 109.5° | 109.5° |
| C30 | S02 | C31 | 88.9° | 90.1° |
| S02 | C30 | C29 | 111.6° | 108.3° |
| S02 | C30 | H24 | 124.2° | 125.9° |
| S02 | C31 | N13 | 120.4° | 125.3° |
| S02 | C31 | N12 | 114.2° | 109.6° |
| C17 | C18 | C15 | 100.5° | 103.0° |
| C18 | C17 | C14 | 105.7° | 101.7° |
| C18 | C17 | H11 | 110.4° | 111.0° |
| C18 | C17 | H12 | 110.4° | 111.0° |
| C17 | C18 | H13 | 111.7° | 110.7° |
| C17 | C18 | H14 | 111.7° | 110.7° |
| C18 | C15 | N08 | 108.4° | 107.3° |
| C18 | C15 | H7 | 109.7° | 109.9° |
| C18 | C15 | H8 | 109.7° | 110.0° |
| C15 | C18 | H13 | 111.7° | 110.7° |
| C15 | C18 | H14 | 111.7° | 110.7° |
| C30 | C29 | N12 | 113.6° | 115.2° |
| C30 | C29 | C28 | 125.1° | 122.4° |
| C29 | C30 | H24 | 124.2° | 125.9° |
| N13 | C31 | N12 | 125.4° | 125.2° |
| C31 | N13 | H3 | 109.5° | 120.0° |
| C31 | N13 | H4 | 109.4° | 120.0° |
| C31 | N12 | C29 | 111.7° | 116.8° |
| N09 | C25 | C22 | 89.5° | 95.9° |
| C25 | N09 | C23 | 139.1° | 141.9° |
| C25 | N09 | C21 | 96.8° | 90.2° |
| C25 | C22 | N10 | 133.6° | 114.4° |
| C25 | C22 | C21 | 86.2° | 82.5° |
| C25 | C22 | H20 | 103.6° | 114.4° |
| C28 | C27 | N10 | 116.8° | 120.0° |
| C27 | C28 | C29 | 121.0° | 120.0° |
| C27 | C28 | N11 | 124.7° | 120.0° |
| C27 | N10 | C22 | 134.5° | 120.0° |
| C27 | N10 | H2 | 112.8° | 120.1° |
| N12 | C29 | C28 | 121.3° | 122.4° |
| C29 | C28 | N11 | 114.3° | 120.0° |
| C17 | C14 | N08 | 104.3° | 104.8° |
| C17 | C14 | H5 | 110.7° | 110.4° |
| C17 | C14 | H6 | 110.7° | 110.5° |
| C14 | C17 | H11 | 110.4° | 111.0° |
| C14 | C17 | H12 | 110.4° | 111.0° |
| C15 | N08 | C14 | 96.0° | 108.5° |
| C15 | N08 | C16 | 113.1° | 109.7° |
| N08 | C15 | H7 | 109.7° | 109.9° |
| N08 | C15 | H8 | 109.7° | 109.9° |
| N09 | C23 | C20 | 112.9° | 119.9° |
| N09 | C23 | C26 | 110.3° | 120.0° |
| C23 | N09 | C21 | 124.1° | 127.4° |
| C20 | C23 | C26 | 127.8° | 120.0° |
| C23 | C20 | C24 | 121.8° | 128.1° |
| C23 | C20 | C16 | 126.2° | 116.0° |
| C23 | C26 | O05 | 125.0° | 120.0° |
| C23 | C26 | O04 | 118.1° | 120.0° |
| C14 | N08 | C16 | 116.5° | 109.7° |
| N08 | C14 | H5 | 110.8° | 110.4° |
| N08 | C14 | H6 | 110.7° | 110.4° |
| N08 | C16 | C20 | 122.9° | 109.5° |
| N08 | C16 | H9 | 106.0° | 109.5° |
| N08 | C16 | H10 | 106.0° | 109.5° |
| C28 | N11 | O07 | 117.9° | 119.9° |
| N09 | C21 | C22 | 87.3° | 89.3° |
| N09 | C21 | S01 | 109.8° | 106.0° |
| N09 | C21 | H19 | 117.7° | 114.7° |
| C24 | C20 | C16 | 109.9° | 116.0° |
| C20 | C24 | S01 | 120.7° | 112.2° |
| C20 | C24 | H22 | 106.6° | 108.9° |
| C20 | C24 | H23 | 106.6° | 108.9° |
| C20 | C16 | H9 | 106.0° | 109.5° |
| C20 | C16 | H10 | 106.0° | 109.4° |
| O05 | C26 | O04 | 116.8° | 120.0° |
| C26 | O04 | H1 | 109.5° | 117.0° |
| C24 | S01 | C21 | 97.9° | 100.7° |
| S01 | C24 | H22 | 106.6° | 108.9° |
| S01 | C24 | H23 | 106.6° | 109.0° |
| N10 | C22 | C21 | 121.8° | 114.4° |
| C22 | N10 | H2 | 112.8° | 120.0° |
| N10 | C22 | H20 | 104.3° | 113.4° |
| C22 | C21 | S01 | 112.7° | 115.5° |
| C22 | C21 | H19 | 115.3° | 115.1° |
| C21 | C22 | H20 | 103.3° | 114.3° |
| N11 | O07 | C32 | 107.9° | 114.0° |
| S01 | C21 | H19 | 111.9° | 113.6° |
| O07 | C32 | H25 | 109.5° | 109.5° |
| O07 | C32 | H26 | 109.5° | 109.5° |
| O07 | C32 | H27 | 109.5° | 109.4° |
| H3 | N13 | H4 | 109.5° | 120.0° |
| H5 | C14 | H6 | 109.5° | 110.3° |
| H7 | C15 | H8 | 109.5° | 109.8° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 110.9° |
| H13 | C18 | H14 | 109.5° | 110.8° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.4° |
| H22 | C24 | H23 | 109.5° | 108.8° |
| H25 | C32 | H26 | 109.5° | 109.5° |
| H25 | C32 | H27 | 109.5° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C27 | C28 | N10 | 179.3° | 180.0° |
| O06 | C27 | C28 | C29 | 49.4° | 175.7° |
| O06 | C27 | C28 | N11 | 132.5° | 4.3° |
| O06 | C27 | N10 | C22 | 4.4° | 3.7° |
| O06 | C27 | N10 | H2 | 175.6° | 176.2° |
| O03 | C25 | N09 | C22 | 173.2° | 180.0° |
| O03 | C25 | N09 | C23 | 4.4° | 20.4° |
| O03 | C25 | N09 | C21 | 176.2° | 168.6° |
| O03 | C25 | C22 | N10 | 52.5° | 77.8° |
| O03 | C25 | C22 | C21 | 175.7° | 168.8° |
| O03 | C25 | C22 | H20 | 72.9° | 55.4° |
| C19 | N08 | C15 | C18 | 61.4° | 118.7° |
| C19 | N08 | C14 | C17 | 73.1° | 95.5° |
| C19 | N08 | C15 | C14 | 111.8° | 119.7° |
| C19 | N08 | C15 | C16 | 125.9° | 120.5° |
| C19 | N08 | C14 | C16 | 124.1° | 120.6° |
| C19 | N08 | C16 | C20 | 25.4° | 54.5° |
| C19 | N08 | C14 | H5 | 46.0° | 145.6° |
| C19 | N08 | C14 | H6 | 167.7° | 23.4° |
| C19 | N08 | C15 | H7 | 178.7° | 0.7° |
| C19 | N08 | C15 | H8 | 58.4° | 121.7° |
| C19 | N08 | C16 | H9 | 96.4° | 65.4° |
| C19 | N08 | C16 | H10 | 147.2° | 174.5° |
| N08 | C19 | H15 | H16 | 120.0° | 120.0° |
| N08 | C19 | H15 | H17 | 120.0° | 120.0° |
| N08 | C19 | H16 | H17 | 120.0° | 120.0° |
| S02 | C30 | C29 | H24 | 180.0° | 179.9° |
| C30 | S02 | C31 | N13 | 179.9° | 180.0° |
| C30 | S02 | C31 | N12 | 0.2° | 0.0° |
| S02 | C30 | C29 | N12 | 0.7° | 0.1° |
| S02 | C30 | C29 | C28 | 179.9° | 180.0° |
| C31 | S02 | C30 | C29 | 0.5° | 0.0° |
| S02 | C31 | N13 | N12 | 179.8° | 180.0° |
| S02 | C31 | N12 | C29 | 0.1° | 0.0° |
| S02 | C31 | N13 | H3 | 0.0° | 0.1° |
| S02 | C31 | N13 | H4 | 120.0° | 180.0° |
| C31 | S02 | C30 | H24 | 179.5° | 180.0° |
| C17 | C18 | C15 | H13 | 118.5° | 118.4° |
| C17 | C18 | C15 | H14 | 118.5° | 118.3° |
| C18 | C17 | C14 | H11 | 119.4° | 118.1° |
| C18 | C17 | C14 | H12 | 119.4° | 118.1° |
| C17 | C18 | C15 | N08 | 36.3° | 22.3° |
| C18 | C17 | C14 | N08 | 23.7° | 37.1° |
| C18 | C17 | C14 | H5 | 142.9° | 81.8° |
| C18 | C17 | C14 | H6 | 95.4° | 155.9° |
| C17 | C18 | C15 | H7 | 83.5° | 97.2° |
| C17 | C18 | C15 | H8 | 156.1° | 141.8° |
| C18 | C17 | H11 | H12 | 121.8° | 123.9° |
| C17 | C18 | H13 | H14 | 124.2° | 123.2° |
| C15 | C18 | C17 | C14 | 6.3° | 35.6° |
| C18 | C15 | N08 | H7 | 119.9° | 119.4° |
| C18 | C15 | N08 | H8 | 119.8° | 119.6° |
| C18 | C15 | N08 | C14 | 50.4° | 1.0° |
| C18 | C15 | N08 | C16 | 172.7° | 120.8° |
| C18 | C15 | H7 | H8 | 120.5° | 121.1° |
| C15 | C18 | C17 | H11 | 125.7° | 153.7° |
| C15 | C18 | C17 | H12 | 113.1° | 82.5° |
| C15 | C18 | H13 | H14 | 124.2° | 123.2° |
| C30 | C29 | N12 | C31 | 0.5° | 0.1° |
| C30 | C29 | C28 | C27 | 136.3° | 170.9° |
| C30 | C29 | N12 | C28 | 179.3° | 180.0° |
| C30 | C29 | C28 | N11 | 45.4° | 9.1° |
| N13 | C31 | N12 | C29 | 179.7° | 180.0° |
| C31 | N13 | H3 | H4 | 120.0° | 179.9° |
| C31 | N12 | C29 | C28 | 179.8° | 180.0° |
| N12 | C31 | N13 | H3 | 179.8° | 180.0° |
| N12 | C31 | N13 | H4 | 60.2° | 0.0° |
| C25 | N09 | C23 | C21 | 179.2° | 168.6° |
| C25 | N09 | C23 | C20 | 137.1° | 151.2° |
| C25 | N09 | C23 | C26 | 73.0° | 28.7° |
| N09 | C25 | C22 | N10 | 134.6° | 102.2° |
| N09 | C25 | C22 | C21 | 2.8° | 11.2° |
| C25 | N09 | C21 | S01 | 110.1° | 127.7° |
| C25 | N09 | C21 | H19 | 120.3° | 106.2° |
| N09 | C25 | C22 | H20 | 100.0° | 124.6° |
| C25 | C22 | N10 | C27 | 11.5° | 112.2° |
| C22 | C25 | N09 | C23 | 177.6° | 159.6° |
| C25 | C22 | N10 | C21 | 118.9° | 92.8° |
| C25 | C22 | N10 | H20 | 125.2° | 133.7° |
| C25 | C22 | C21 | H20 | 103.1° | 113.4° |
| C25 | C22 | C21 | S01 | 107.7° | 117.4° |
| C25 | C22 | N10 | H2 | 168.5° | 67.7° |
| C25 | C22 | C21 | H19 | 122.2° | 107.2° |
| C27 | C28 | C29 | N12 | 44.6° | 9.1° |
| C27 | C28 | C29 | N11 | 178.3° | 180.0° |
| C28 | C27 | N10 | C22 | 176.2° | 176.3° |
| C27 | C28 | N11 | O07 | 0.7° | 5.5° |
| C28 | C27 | N10 | H2 | 3.8° | 3.8° |
| N10 | C27 | C28 | C29 | 131.3° | 4.3° |
| N10 | C27 | C28 | N11 | 46.9° | 175.7° |
| C27 | N10 | C22 | H2 | 180.0° | 179.9° |
| C27 | N10 | C22 | C21 | 130.4° | 155.0° |
| C27 | N10 | C22 | H20 | 113.7° | 21.5° |
| N12 | C29 | C28 | N11 | 133.8° | 171.0° |
| N12 | C29 | C30 | H24 | 179.3° | 180.0° |
| C29 | C28 | N11 | O07 | 179.0° | 174.5° |
| C28 | C29 | C30 | H24 | 0.1° | 0.1° |
| C17 | C14 | N08 | C15 | 43.1° | 24.1° |
| C17 | C14 | N08 | H5 | 119.2° | 118.9° |
| C17 | C14 | N08 | H6 | 119.2° | 118.9° |
| C17 | C14 | N08 | C16 | 162.7° | 143.9° |
| C17 | C14 | H5 | H6 | 122.4° | 122.4° |
| C14 | C17 | H11 | H12 | 121.7° | 123.8° |
| C14 | C17 | C18 | H13 | 124.8° | 154.1° |
| C14 | C17 | C18 | H14 | 112.2° | 82.7° |
| C15 | N08 | C14 | C16 | 119.6° | 119.8° |
| C15 | N08 | C16 | C20 | 101.9° | 65.9° |
| C15 | N08 | C14 | H5 | 162.3° | 94.8° |
| C15 | N08 | C14 | H6 | 76.1° | 143.0° |
| N08 | C15 | H7 | H8 | 120.5° | 121.0° |
| C15 | N08 | C16 | H9 | 136.2° | 174.2° |
| C15 | N08 | C16 | H10 | 19.9° | 54.1° |
| N08 | C15 | C18 | H13 | 154.8° | 140.7° |
| N08 | C15 | C18 | H14 | 82.2° | 96.1° |
| C15 | N08 | C19 | H15 | 180.0° | 155.2° |
| C15 | N08 | C19 | H16 | 60.0° | 84.8° |
| C15 | N08 | C19 | H17 | 60.0° | 35.2° |
| N09 | C23 | C20 | C26 | 143.5° | 179.9° |
| N09 | C23 | C20 | C24 | 13.7° | 2.5° |
| N09 | C23 | C20 | C16 | 148.1° | 177.6° |
| N09 | C23 | C26 | O05 | 173.9° | 7.9° |
| N09 | C23 | C26 | O04 | 7.3° | 172.1° |
| C23 | N09 | C21 | C22 | 177.5° | 161.7° |
| C23 | N09 | C21 | S01 | 69.3° | 45.3° |
| C23 | N09 | C21 | H19 | 60.2° | 80.8° |
| C23 | C20 | C16 | N08 | 92.2° | 93.8° |
| C20 | C23 | N09 | C21 | 42.1° | 17.4° |
| C23 | C20 | C24 | C16 | 164.4° | 180.0° |
| C20 | C23 | C26 | O05 | 29.7° | 172.0° |
| C20 | C23 | C26 | O04 | 151.5° | 8.0° |
| C23 | C20 | C24 | S01 | 33.8° | 21.2° |
| C23 | C20 | C16 | H9 | 145.9° | 26.2° |
| C23 | C20 | C16 | H10 | 29.6° | 146.3° |
| C23 | C20 | C24 | H22 | 87.8° | 99.5° |
| C23 | C20 | C24 | H23 | 155.4° | 142.0° |
| C26 | C23 | N09 | C21 | 107.8° | 162.7° |
| C26 | C23 | C20 | C24 | 157.2° | 177.6° |
| C26 | C23 | C20 | C16 | 4.6° | 2.3° |
| C23 | C26 | O05 | O04 | 178.9° | 180.0° |
| C23 | C26 | O04 | H1 | 178.9° | 180.0° |
| C14 | N08 | C16 | C20 | 148.2° | 175.0° |
| N08 | C14 | H5 | H6 | 122.4° | 122.2° |
| C14 | N08 | C15 | H7 | 69.4° | 120.4° |
| C14 | N08 | C15 | H8 | 170.2° | 118.6° |
| C14 | N08 | C16 | H9 | 26.3° | 55.1° |
| C14 | N08 | C16 | H10 | 90.0° | 65.0° |
| N08 | C14 | C17 | H11 | 95.6° | 155.2° |
| N08 | C14 | C17 | H12 | 143.2° | 81.0° |
| C14 | N08 | C19 | H15 | 75.4° | 36.1° |
| C14 | N08 | C19 | H16 | 164.6° | 156.2° |
| C14 | N08 | C19 | H17 | 44.6° | 83.9° |
| N08 | C16 | C20 | C24 | 104.2° | 86.2° |
| N08 | C16 | C20 | H9 | 121.8° | 120.0° |
| N08 | C16 | C20 | H10 | 121.8° | 120.0° |
| C16 | N08 | C14 | H5 | 78.1° | 25.0° |
| C16 | N08 | C14 | H6 | 43.5° | 97.2° |
| C16 | N08 | C15 | H7 | 52.8° | 119.8° |
| C16 | N08 | C15 | H8 | 67.5° | 1.2° |
| N08 | C16 | H9 | H10 | 114.0° | 120.1° |
| C16 | N08 | C19 | H15 | 52.5° | 84.4° |
| C16 | N08 | C19 | H16 | 67.5° | 35.7° |
| C16 | N08 | C19 | H17 | 172.5° | 155.6° |
| C28 | N11 | O07 | C32 | 127.3° | 180.0° |
| N09 | C21 | S01 | C24 | 35.2° | 51.7° |
| N09 | C21 | C22 | N10 | 143.3° | 103.5° |
| N09 | C21 | C22 | S01 | 110.4° | 107.5° |
| N09 | C21 | C22 | H19 | 119.5° | 117.1° |
| N09 | C21 | S01 | H19 | 132.6° | 126.9° |
| N09 | C21 | C22 | H20 | 100.3° | 123.4° |
| C20 | C24 | S01 | H22 | 121.6° | 120.7° |
| C20 | C24 | S01 | H23 | 121.6° | 120.8° |
| C20 | C24 | S01 | C21 | 5.8° | 43.2° |
| C24 | C20 | C16 | H9 | 17.7° | 153.8° |
| C24 | C20 | C16 | H10 | 134.0° | 33.8° |
| C20 | C24 | H22 | H23 | 114.9° | 118.6° |
| C16 | C20 | C24 | S01 | 130.6° | 158.8° |
| C20 | C16 | H9 | H10 | 114.0° | 120.0° |
| C16 | C20 | C24 | H22 | 107.8° | 80.5° |
| C16 | C20 | C24 | H23 | 9.0° | 38.0° |
| O05 | C26 | O04 | H1 | 0.0° | 0.0° |
| C24 | S01 | C21 | C22 | 130.8° | 148.7° |
| C24 | S01 | C21 | H19 | 97.4° | 75.2° |
| S01 | C24 | H22 | H23 | 114.9° | 118.7° |
| N10 | C22 | C21 | H20 | 116.4° | 133.1° |
| N10 | C22 | C21 | S01 | 32.9° | 4.0° |
| N10 | C22 | C21 | H19 | 97.2° | 139.4° |
| C22 | C21 | S01 | H19 | 131.8° | 136.1° |
| C21 | C22 | N10 | H2 | 49.6° | 25.0° |
| N11 | O07 | C32 | H25 | 180.0° | 180.0° |
| N11 | O07 | C32 | H26 | 60.0° | 60.0° |
| N11 | O07 | C32 | H27 | 60.0° | 60.0° |
| S01 | C21 | C22 | H20 | 149.3° | 129.1° |
| C21 | S01 | C24 | H22 | 115.8° | 77.5° |
| C21 | S01 | C24 | H23 | 127.4° | 164.0° |
| O07 | C32 | H25 | H26 | 120.0° | 120.0° |
| O07 | C32 | H25 | H27 | 120.0° | 119.9° |
| O07 | C32 | H26 | H27 | 120.0° | 120.0° |
| H2 | N10 | C22 | H20 | 66.3° | 158.6° |
| H5 | C14 | C17 | H11 | 23.5° | 36.3° |
| H5 | C14 | C17 | H12 | 97.6° | 160.1° |
| H6 | C14 | C17 | H11 | 145.2° | 85.9° |
| H6 | C14 | C17 | H12 | 24.0° | 37.8° |
| H7 | C15 | C18 | H13 | 35.0° | 21.2° |
| H7 | C15 | C18 | H14 | 157.9° | 144.5° |
| H8 | C15 | C18 | H13 | 85.3° | 99.8° |
| H8 | C15 | C18 | H14 | 37.6° | 23.4° |
| H11 | C17 | C18 | H13 | 115.8° | 87.9° |
| H11 | C17 | C18 | H14 | 7.1° | 35.4° |
| H12 | C17 | C18 | H13 | 5.4° | 36.0° |
| H12 | C17 | C18 | H14 | 128.4° | 159.2° |
| H15 | C19 | H16 | H17 | 120.0° | 120.0° |
| H19 | C21 | C22 | H20 | 19.2° | 6.3° |
| H25 | C32 | H26 | H27 | 120.0° | 120.0° |
