X4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S29 | P40 | sing | 2.12Å | 1.95Å | |
| P40 | O37 | doub | 1.48Å | 1.62Å | |
| P40 | O31 | sing | 1.61Å | 1.64Å | |
| P40 | O35 | sing | 1.61Å | 1.62Å | |
| C10 | C18 | sing | 1.53Å | 1.53Å | |
| C10 | C14 | sing | 1.53Å | 1.52Å | |
| O31 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| O39 | C18 | sing | 1.43Å | 1.44Å | |
| O39 | C6 | sing | 1.35Å | 1.38Å | |
| O35 | C17 | sing | 1.43Å | 1.43Å | |
| C18 | C11 | sing | 1.53Å | 1.51Å | |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C6 | N22 | doub | 1.33Å | 1.33Å | Aromatic |
| N27 | C9 | sing | 1.37Å | 1.38Å | |
| C2 | N21 | sing | 1.33Å | 1.34Å | Aromatic |
| N22 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | N24 | doub | 1.31Å | 1.29Å | |
| C9 | N26 | sing | 1.36Å | 1.38Å | |
| N21 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| O36 | C19 | sing | 1.43Å | 1.43Å | |
| N24 | C7 | sing | 1.34Å | 1.36Å | |
| C17 | C19 | sing | 1.55Å | 1.50Å | |
| C17 | C20 | sing | 1.54Å | 1.50Å | |
| N26 | C8 | sing | 1.35Å | 1.38Å | |
| C15 | C11 | sing | 1.53Å | 1.50Å | |
| C15 | O34 | sing | 1.43Å | 1.42Å | |
| C19 | C16 | sing | 1.54Å | 1.50Å | |
| C7 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | N25 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | O28 | doub | 1.22Å | 1.23Å | |
| C8 | C5 | sing | 1.41Å | 1.43Å | |
| C20 | N25 | sing | 1.46Å | 1.45Å | |
| C20 | O33 | sing | 1.43Å | 1.43Å | |
| C5 | N23 | sing | 1.36Å | 1.37Å | Aromatic |
| N25 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| O34 | P41 | sing | 1.61Å | 1.62Å | |
| N23 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| C16 | O33 | sing | 1.43Å | 1.43Å | |
| C16 | C13 | sing | 1.53Å | 1.52Å | |
| O32 | P41 | sing | 1.61Å | 1.64Å | |
| O32 | C13 | sing | 1.43Å | 1.41Å | |
| P41 | O38 | doub | 1.48Å | 1.62Å | |
| P41 | S30 | sing | 2.12Å | 1.95Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N26 | H20 | sing | 0.97Å | 1.00Å | |
| N27 | H21 | sing | 0.97Å | 1.00Å | |
| N27 | H22 | sing | 0.97Å | 1.00Å | |
| S29 | H23 | sing | 1.35Å | 1.30Å | |
| S30 | H24 | sing | 1.34Å | 1.30Å | |
| O36 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S29 | P40 | O37 | 116.3° | 109.5° |
| S29 | P40 | O31 | 112.8° | 109.5° |
| S29 | P40 | O35 | 109.3° | 109.5° |
| P40 | S29 | H23 | 102.0° | 103.0° |
| O37 | P40 | O31 | 104.2° | 109.5° |
| O37 | P40 | O35 | 107.1° | 109.5° |
| O31 | P40 | O35 | 106.5° | 109.4° |
| P40 | O31 | C12 | 123.0° | 123.2° |
| P40 | O35 | C17 | 118.9° | 122.7° |
| C18 | C10 | C14 | 107.1° | 107.7° |
| C10 | C18 | O39 | 107.1° | 109.8° |
| C10 | C18 | C11 | 102.8° | 108.2° |
| C18 | C10 | H2 | 110.0° | 109.8° |
| C18 | C10 | H3 | 110.1° | 109.8° |
| C10 | C18 | H18 | 111.6° | 109.8° |
| C10 | C14 | C12 | 112.7° | 109.8° |
| C10 | C14 | C15 | 101.9° | 107.7° |
| C14 | C10 | H2 | 110.1° | 109.8° |
| C14 | C10 | H3 | 110.1° | 109.8° |
| C10 | C14 | H16 | 110.2° | 109.6° |
| O31 | C12 | C14 | 105.9° | 109.5° |
| O31 | C12 | H14 | 110.3° | 109.5° |
| O31 | C12 | H15 | 110.3° | 109.4° |
| C12 | C14 | C15 | 110.9° | 109.9° |
| C14 | C12 | H14 | 110.3° | 109.5° |
| C14 | C12 | H15 | 110.4° | 109.4° |
| C12 | C14 | H16 | 110.3° | 110.0° |
| C18 | O39 | C6 | 122.1° | 117.0° |
| O39 | C18 | C11 | 109.8° | 109.7° |
| O39 | C18 | H18 | 113.1° | 109.7° |
| O39 | C6 | C1 | 119.7° | 120.5° |
| O39 | C6 | N22 | 119.7° | 120.6° |
| O35 | C17 | C19 | 109.0° | 110.3° |
| O35 | C17 | C20 | 111.0° | 110.9° |
| O35 | C17 | H7 | 111.9° | 110.5° |
| C18 | C11 | C15 | 100.8° | 107.6° |
| C18 | C11 | H12 | 111.6° | 109.8° |
| C18 | C11 | H13 | 111.6° | 110.0° |
| C11 | C18 | H18 | 111.9° | 109.7° |
| C6 | C1 | C2 | 118.2° | 118.4° |
| C1 | C6 | N22 | 120.6° | 118.9° |
| C6 | C1 | H9 | 120.9° | 120.8° |
| C1 | C2 | N21 | 119.7° | 119.2° |
| C2 | C1 | H9 | 120.9° | 120.8° |
| C1 | C2 | H10 | 120.1° | 120.4° |
| C14 | C15 | C11 | 102.2° | 107.7° |
| C14 | C15 | O34 | 106.1° | 109.9° |
| C14 | C15 | H6 | 112.8° | 109.9° |
| C15 | C14 | H16 | 110.6° | 109.8° |
| C6 | N22 | C3 | 119.9° | 120.7° |
| N27 | C9 | N24 | 124.7° | 119.0° |
| N27 | C9 | N26 | 114.0° | 119.0° |
| C9 | N27 | H21 | 120.0° | 120.0° |
| C9 | N27 | H22 | 120.0° | 120.1° |
| C2 | N21 | C3 | 120.5° | 120.9° |
| N21 | C2 | H10 | 120.1° | 120.4° |
| N22 | C3 | N21 | 121.2° | 121.8° |
| N22 | C3 | H11 | 119.4° | 119.0° |
| N24 | C9 | N26 | 121.3° | 121.9° |
| C9 | N24 | C7 | 114.5° | 121.1° |
| C9 | N26 | C8 | 127.7° | 120.3° |
| C9 | N26 | H20 | 116.1° | 119.8° |
| N21 | C3 | H11 | 119.4° | 119.1° |
| O36 | C19 | C17 | 106.9° | 110.5° |
| O36 | C19 | C16 | 106.7° | 110.5° |
| O36 | C19 | H19 | 113.7° | 110.6° |
| C19 | O36 | H25 | 109.5° | 114.0° |
| N24 | C7 | C5 | 127.5° | 119.7° |
| N24 | C7 | N25 | 128.1° | 134.2° |
| C19 | C17 | C20 | 103.2° | 104.5° |
| C17 | C19 | C16 | 103.9° | 104.2° |
| C19 | C17 | H7 | 110.7° | 110.1° |
| C17 | C19 | H19 | 112.5° | 110.4° |
| C17 | C20 | N25 | 109.8° | 109.8° |
| C17 | C20 | O33 | 105.9° | 108.0° |
| C20 | C17 | H7 | 110.7° | 110.4° |
| C17 | C20 | H8 | 109.3° | 109.8° |
| N26 | C8 | O28 | 125.7° | 120.8° |
| N26 | C8 | C5 | 110.5° | 118.3° |
| C8 | N26 | H20 | 116.1° | 119.8° |
| C11 | C15 | O34 | 108.1° | 109.8° |
| C11 | C15 | H6 | 112.7° | 109.7° |
| C15 | C11 | H12 | 111.6° | 109.8° |
| C15 | C11 | H13 | 111.6° | 109.8° |
| C15 | O34 | P41 | 124.8° | 122.9° |
| O34 | C15 | H6 | 114.1° | 109.7° |
| C19 | C16 | O33 | 106.6° | 107.4° |
| C19 | C16 | C13 | 113.5° | 109.1° |
| C19 | C16 | H17 | 109.1° | 110.0° |
| C16 | C19 | H19 | 112.5° | 110.5° |
| C5 | C7 | N25 | 104.3° | 106.1° |
| C7 | C5 | C8 | 118.5° | 118.6° |
| C7 | C5 | N23 | 112.0° | 107.3° |
| C7 | N25 | C20 | 128.6° | 126.3° |
| C7 | N25 | C4 | 107.0° | 107.5° |
| O28 | C8 | C5 | 123.8° | 120.8° |
| C8 | C5 | N23 | 129.5° | 134.2° |
| N25 | C20 | O33 | 111.5° | 109.8° |
| C20 | N25 | C4 | 124.3° | 126.3° |
| N25 | C20 | H8 | 110.0° | 109.8° |
| C20 | O33 | C16 | 110.1° | 111.8° |
| O33 | C20 | H8 | 110.3° | 109.7° |
| C5 | N23 | C4 | 104.0° | 109.4° |
| N25 | C4 | N23 | 112.7° | 109.8° |
| N25 | C4 | H1 | 123.7° | 125.0° |
| O34 | P41 | O32 | 101.2° | 109.5° |
| O34 | P41 | O38 | 106.3° | 109.4° |
| O34 | P41 | S30 | 108.8° | 109.5° |
| N23 | C4 | H1 | 123.7° | 125.2° |
| O33 | C16 | C13 | 108.7° | 109.8° |
| O33 | C16 | H17 | 110.1° | 110.5° |
| C16 | C13 | O32 | 110.6° | 109.2° |
| C16 | C13 | H4 | 109.2° | 109.5° |
| C16 | C13 | H5 | 109.2° | 109.6° |
| C13 | C16 | H17 | 108.8° | 110.1° |
| P41 | O32 | C13 | 123.5° | 123.1° |
| O32 | P41 | O38 | 101.6° | 109.4° |
| O32 | P41 | S30 | 115.8° | 109.5° |
| O32 | C13 | H4 | 109.2° | 109.5° |
| O32 | C13 | H5 | 109.2° | 109.5° |
| O38 | P41 | S30 | 121.1° | 109.5° |
| P41 | S30 | H24 | 102.0° | 103.0° |
| H2 | C10 | H3 | 109.5° | 109.9° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.9° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H21 | N27 | H22 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S29 | P40 | O37 | O31 | 124.8° | 120.0° |
| S29 | P40 | O37 | O35 | 122.6° | 120.0° |
| S29 | P40 | O31 | O35 | 120.0° | 119.9° |
| S29 | P40 | O31 | C12 | 65.9° | 157.5° |
| S29 | P40 | O35 | C17 | 159.1° | 137.9° |
| O37 | P40 | O31 | O35 | 113.1° | 120.0° |
| O37 | P40 | O31 | C12 | 167.2° | 37.4° |
| O37 | P40 | O35 | C17 | 74.1° | 102.1° |
| O37 | P40 | S29 | H23 | 180.0° | 60.0° |
| P40 | O31 | C12 | C14 | 175.9° | 172.6° |
| O31 | P40 | O35 | C17 | 36.9° | 17.9° |
| P40 | O31 | C12 | H14 | 56.5° | 52.6° |
| P40 | O31 | C12 | H15 | 64.6° | 67.4° |
| O31 | P40 | S29 | H23 | 59.8° | 60.0° |
| O35 | P40 | O31 | C12 | 54.1° | 82.6° |
| P40 | O35 | C17 | C19 | 125.4° | 100.6° |
| P40 | O35 | C17 | C20 | 121.5° | 144.1° |
| P40 | O35 | C17 | H7 | 2.7° | 21.3° |
| O35 | P40 | S29 | H23 | 58.6° | 179.9° |
| C18 | C10 | C14 | H2 | 119.6° | 119.5° |
| C18 | C10 | C14 | H3 | 119.6° | 119.6° |
| C18 | C10 | C14 | C12 | 136.9° | 128.4° |
| C10 | C18 | O39 | C11 | 110.9° | 118.8° |
| C10 | C18 | O39 | H18 | 123.3° | 120.7° |
| C10 | C18 | O39 | C6 | 169.1° | 150.0° |
| C10 | C18 | C11 | H18 | 119.9° | 119.7° |
| C18 | C10 | C14 | C15 | 18.0° | 8.7° |
| C10 | C18 | C11 | C15 | 38.0° | 3.8° |
| C18 | C10 | H2 | H3 | 121.1° | 120.9° |
| C10 | C18 | C11 | H12 | 80.6° | 123.2° |
| C10 | C18 | C11 | H13 | 156.6° | 115.8° |
| C18 | C10 | C14 | H16 | 99.4° | 110.7° |
| C10 | C14 | C12 | O31 | 53.7° | 114.5° |
| C10 | C14 | C12 | C15 | 113.5° | 118.3° |
| C10 | C14 | C12 | H16 | 123.7° | 120.7° |
| C14 | C10 | C18 | O39 | 103.1° | 122.8° |
| C14 | C10 | C18 | C11 | 12.6° | 3.0° |
| C10 | C14 | C15 | H16 | 117.1° | 119.3° |
| C10 | C14 | C15 | C11 | 42.1° | 11.1° |
| C10 | C14 | C15 | O34 | 155.3° | 130.8° |
| C14 | C10 | H2 | H3 | 121.1° | 120.9° |
| C10 | C14 | C15 | H6 | 79.1° | 108.4° |
| C10 | C14 | C12 | H14 | 173.1° | 125.4° |
| C10 | C14 | C12 | H15 | 65.7° | 5.4° |
| C14 | C10 | C18 | H18 | 132.7° | 116.6° |
| O31 | C12 | C14 | H14 | 119.4° | 120.0° |
| O31 | C12 | C14 | H15 | 119.4° | 120.0° |
| O31 | C12 | C14 | C15 | 59.8° | 127.2° |
| O31 | C12 | H14 | H15 | 121.6° | 120.0° |
| O31 | C12 | C14 | H16 | 177.4° | 6.2° |
| C12 | C14 | C15 | H16 | 122.7° | 121.1° |
| C12 | C14 | C15 | C11 | 162.3° | 130.7° |
| C12 | C14 | C15 | O34 | 84.5° | 109.6° |
| C12 | C14 | C10 | H2 | 17.3° | 112.1° |
| C12 | C14 | C10 | H3 | 103.5° | 8.8° |
| C12 | C14 | C15 | H6 | 41.1° | 11.2° |
| C14 | C12 | H14 | H15 | 121.7° | 119.9° |
| O39 | C18 | C11 | H18 | 126.5° | 120.6° |
| C18 | O39 | C6 | C1 | 176.8° | 179.8° |
| C18 | O39 | C6 | N22 | 2.6° | 0.0° |
| O39 | C18 | C11 | C15 | 75.6° | 115.9° |
| O39 | C18 | C10 | H2 | 16.6° | 117.7° |
| O39 | C18 | C10 | H3 | 137.3° | 3.2° |
| O39 | C18 | C11 | H12 | 165.8° | 3.5° |
| O39 | C18 | C11 | H13 | 42.9° | 124.5° |
| C6 | O39 | C18 | C11 | 80.0° | 91.2° |
| O39 | C6 | C1 | N22 | 179.3° | 179.8° |
| O39 | C6 | C1 | C2 | 179.5° | 179.7° |
| O39 | C6 | N22 | C3 | 179.5° | 179.7° |
| O39 | C6 | C1 | H9 | 0.5° | 0.2° |
| C6 | O39 | C18 | H18 | 45.8° | 29.4° |
| O35 | C17 | C19 | O36 | 37.0° | 19.9° |
| O35 | C17 | C19 | C20 | 118.1° | 119.3° |
| O35 | C17 | C19 | H7 | 123.5° | 122.1° |
| O35 | C17 | C20 | H7 | 124.8° | 122.8° |
| O35 | C17 | C19 | C16 | 149.7° | 138.6° |
| O35 | C17 | C20 | N25 | 93.6° | 108.3° |
| O35 | C17 | C20 | O33 | 146.0° | 132.0° |
| O35 | C17 | C20 | H8 | 27.2° | 12.4° |
| O35 | C17 | C19 | H19 | 88.4° | 102.8° |
| C18 | C11 | C15 | C14 | 50.8° | 9.2° |
| C18 | C11 | C15 | H12 | 118.6° | 119.5° |
| C18 | C11 | C15 | H13 | 118.6° | 119.6° |
| C18 | C11 | C15 | O34 | 162.5° | 128.9° |
| C11 | C18 | C10 | H2 | 132.2° | 122.5° |
| C11 | C18 | C10 | H3 | 107.1° | 116.5° |
| C18 | C11 | C15 | H6 | 70.5° | 110.4° |
| C18 | C11 | H12 | H13 | 124.0° | 121.1° |
| C6 | C1 | C2 | H9 | 180.0° | 179.9° |
| C6 | C1 | C2 | N21 | 0.3° | 0.1° |
| C1 | C6 | N22 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H10 | 179.7° | 180.0° |
| C2 | C1 | C6 | N22 | 0.2° | 0.1° |
| C1 | C2 | N21 | H10 | 180.0° | 180.0° |
| C1 | C2 | N21 | C3 | 0.5° | 0.0° |
| C14 | C15 | C11 | O34 | 111.7° | 119.7° |
| C14 | C15 | C11 | H6 | 121.3° | 119.6° |
| C14 | C15 | O34 | H6 | 124.8° | 120.9° |
| C14 | C15 | O34 | P41 | 166.7° | 132.7° |
| C15 | C14 | C10 | H2 | 101.6° | 128.3° |
| C15 | C14 | C10 | H3 | 137.7° | 110.8° |
| C14 | C15 | C11 | H12 | 67.7° | 128.7° |
| C14 | C15 | C11 | H13 | 169.4° | 110.4° |
| C15 | C14 | C12 | H14 | 59.6° | 7.1° |
| C15 | C14 | C12 | H15 | 179.2° | 112.9° |
| C6 | N22 | C3 | N21 | 0.3° | 0.0° |
| N22 | C6 | C1 | H9 | 179.8° | 180.0° |
| C6 | N22 | C3 | H11 | 179.7° | 180.0° |
| N27 | C9 | N24 | N26 | 179.9° | 180.0° |
| N27 | C9 | N24 | C7 | 179.7° | 180.0° |
| N27 | C9 | N26 | C8 | 180.0° | 180.0° |
| N27 | C9 | N26 | H20 | 0.0° | 0.0° |
| C9 | N27 | H21 | H22 | 180.0° | 180.0° |
| C2 | N21 | C3 | N22 | 0.5° | 0.1° |
| N21 | C2 | C1 | H9 | 179.7° | 180.0° |
| C2 | N21 | C3 | H11 | 179.5° | 180.0° |
| N22 | C3 | N21 | H11 | 180.0° | 180.0° |
| N24 | C9 | N26 | C8 | 0.1° | 0.0° |
| C9 | N24 | C7 | C5 | 0.6° | 0.0° |
| C9 | N24 | C7 | N25 | 179.8° | 179.9° |
| N24 | C9 | N26 | H20 | 179.9° | 180.0° |
| N24 | C9 | N27 | H21 | 0.0° | 0.1° |
| N24 | C9 | N27 | H22 | 180.0° | 180.0° |
| N26 | C9 | N24 | C7 | 0.4° | 0.0° |
| C9 | N26 | C8 | H20 | 180.0° | 180.0° |
| C9 | N26 | C8 | O28 | 179.6° | 180.0° |
| C9 | N26 | C8 | C5 | 0.1° | 0.1° |
| N26 | C9 | N27 | H21 | 179.9° | 179.9° |
| N26 | C9 | N27 | H22 | 0.1° | 0.0° |
| C3 | N21 | C2 | H10 | 179.5° | 179.9° |
| O36 | C19 | C17 | C16 | 112.6° | 118.7° |
| O36 | C19 | C17 | H19 | 125.5° | 122.7° |
| O36 | C19 | C17 | C20 | 81.0° | 99.4° |
| O36 | C19 | C16 | H19 | 125.4° | 122.7° |
| O36 | C19 | C16 | O33 | 89.7° | 99.3° |
| O36 | C19 | C16 | C13 | 150.7° | 141.8° |
| O36 | C19 | C17 | H7 | 160.5° | 142.0° |
| O36 | C19 | C16 | H17 | 29.1° | 20.9° |
| N24 | C7 | C5 | N25 | 179.4° | 179.9° |
| N24 | C7 | C5 | C8 | 0.5° | 0.1° |
| N24 | C7 | N25 | C20 | 0.2° | 0.0° |
| N24 | C7 | C5 | N23 | 180.0° | 180.0° |
| N24 | C7 | N25 | C4 | 180.0° | 179.9° |
| C19 | C17 | C20 | H7 | 118.5° | 118.3° |
| C17 | C19 | C16 | H19 | 121.9° | 118.6° |
| C19 | C17 | C20 | N25 | 149.7° | 132.8° |
| C19 | C17 | C20 | O33 | 29.3° | 13.1° |
| C17 | C19 | C16 | O33 | 23.0° | 19.4° |
| C17 | C19 | C16 | C13 | 96.6° | 99.6° |
| C19 | C17 | C20 | H8 | 89.5° | 106.4° |
| C17 | C19 | C16 | H17 | 141.9° | 139.6° |
| C17 | C19 | O36 | H25 | 180.0° | 180.0° |
| C20 | C17 | C19 | C16 | 31.6° | 19.3° |
| C17 | C20 | N25 | C7 | 119.6° | 85.0° |
| C17 | C20 | N25 | O33 | 117.0° | 118.6° |
| C17 | C20 | N25 | H8 | 120.3° | 120.8° |
| C17 | C20 | O33 | H8 | 118.1° | 119.6° |
| C17 | C20 | N25 | C4 | 60.0° | 95.1° |
| C17 | C20 | O33 | C16 | 15.5° | 1.0° |
| C20 | C17 | C19 | H19 | 153.5° | 138.0° |
| N26 | C8 | C5 | C7 | 0.1° | 0.1° |
| N26 | C8 | O28 | C5 | 179.5° | 179.9° |
| N26 | C8 | C5 | N23 | 179.5° | 180.0° |
| C11 | C15 | O34 | H6 | 126.2° | 120.7° |
| C11 | C15 | O34 | P41 | 84.3° | 108.9° |
| C15 | C11 | H12 | H13 | 124.0° | 120.9° |
| C11 | C15 | C14 | H16 | 75.0° | 108.2° |
| C15 | C11 | C18 | H18 | 157.9° | 123.5° |
| C15 | O34 | P41 | O32 | 87.1° | 107.7° |
| C15 | O34 | P41 | O38 | 18.6° | 12.3° |
| C15 | O34 | P41 | S30 | 150.5° | 132.3° |
| O34 | C15 | C11 | H12 | 43.9° | 111.6° |
| O34 | C15 | C11 | H13 | 79.0° | 9.3° |
| O34 | C15 | C14 | H16 | 38.2° | 11.5° |
| C19 | C16 | O33 | C20 | 4.8° | 11.8° |
| C19 | C16 | O33 | C13 | 122.7° | 118.5° |
| C19 | C16 | O33 | H17 | 118.2° | 119.9° |
| C19 | C16 | C13 | H17 | 121.7° | 120.8° |
| C19 | C16 | C13 | O32 | 55.5° | 9.5° |
| C19 | C16 | C13 | H4 | 175.7° | 110.4° |
| C19 | C16 | C13 | H5 | 64.7° | 129.5° |
| C16 | C19 | C17 | H7 | 86.9° | 99.3° |
| C16 | C19 | O36 | H25 | 69.4° | 65.2° |
| C7 | C5 | C8 | O28 | 179.5° | 180.0° |
| C7 | C5 | C8 | N23 | 179.5° | 179.9° |
| C5 | C7 | N25 | C20 | 179.1° | 179.9° |
| C5 | C7 | N25 | C4 | 0.6° | 0.2° |
| C7 | C5 | N23 | C4 | 0.4° | 0.1° |
| N25 | C7 | C5 | C8 | 179.8° | 179.9° |
| C7 | N25 | C20 | C4 | 179.7° | 179.9° |
| C7 | N25 | C20 | O33 | 123.4° | 156.4° |
| N25 | C7 | C5 | N23 | 0.6° | 0.1° |
| C7 | N25 | C4 | N23 | 0.4° | 0.2° |
| C7 | N25 | C4 | H1 | 179.5° | 180.0° |
| C7 | N25 | C20 | H8 | 0.7° | 35.7° |
| O28 | C8 | C5 | N23 | 0.0° | 0.1° |
| O28 | C8 | N26 | H20 | 0.4° | 0.0° |
| C8 | C5 | N23 | C4 | 179.8° | 180.0° |
| C5 | C8 | N26 | H20 | 179.9° | 179.9° |
| N25 | C20 | O33 | H8 | 122.5° | 120.7° |
| C20 | N25 | C4 | N23 | 179.3° | 179.9° |
| N25 | C20 | O33 | C16 | 134.9° | 120.7° |
| C20 | N25 | C4 | H1 | 0.7° | 0.1° |
| N25 | C20 | C17 | H7 | 31.3° | 14.5° |
| O33 | C20 | N25 | C4 | 56.9° | 23.5° |
| C20 | O33 | C16 | C13 | 117.9° | 106.7° |
| O33 | C20 | C17 | H7 | 89.2° | 105.2° |
| C20 | O33 | C16 | H17 | 123.0° | 131.7° |
| C5 | N23 | C4 | N25 | 0.1° | 0.2° |
| C5 | N23 | C4 | H1 | 179.9° | 179.9° |
| N25 | C4 | N23 | H1 | 180.0° | 179.7° |
| C4 | N25 | C20 | H8 | 179.6° | 144.1° |
| O34 | P41 | O32 | O38 | 109.4° | 120.0° |
| O34 | P41 | O32 | S30 | 117.4° | 120.0° |
| O34 | P41 | O32 | C13 | 97.5° | 151.1° |
| O34 | P41 | O38 | S30 | 124.6° | 120.0° |
| P41 | O34 | C15 | H6 | 41.9° | 11.8° |
| O34 | P41 | S30 | H24 | 180.0° | 180.0° |
| O33 | C16 | C13 | H17 | 119.9° | 121.8° |
| O33 | C16 | C13 | O32 | 62.9° | 126.9° |
| O33 | C16 | C13 | H4 | 57.3° | 7.0° |
| O33 | C16 | C13 | H5 | 176.9° | 113.1° |
| C16 | O33 | C20 | H8 | 102.6° | 118.7° |
| O33 | C16 | C19 | H19 | 144.9° | 138.0° |
| C16 | C13 | O32 | P41 | 145.2° | 140.7° |
| C16 | C13 | O32 | H4 | 120.2° | 119.9° |
| C16 | C13 | O32 | H5 | 120.2° | 120.0° |
| C16 | C13 | H4 | H5 | 119.5° | 120.1° |
| C13 | C16 | C19 | H19 | 25.3° | 19.1° |
| O32 | P41 | O38 | S30 | 129.9° | 120.0° |
| P41 | O32 | C13 | H4 | 94.6° | 20.8° |
| P41 | O32 | C13 | H5 | 25.0° | 99.3° |
| O32 | P41 | S30 | H24 | 67.0° | 60.0° |
| C13 | O32 | P41 | O38 | 153.0° | 31.1° |
| C13 | O32 | P41 | S30 | 19.8° | 88.9° |
| O32 | C13 | H4 | H5 | 119.5° | 120.1° |
| O32 | C13 | C16 | H17 | 177.2° | 111.2° |
| O38 | P41 | S30 | H24 | 56.5° | 60.0° |
| H2 | C10 | C14 | H16 | 141.0° | 8.9° |
| H2 | C10 | C18 | H18 | 107.7° | 2.8° |
| H3 | C10 | C14 | H16 | 20.2° | 129.8° |
| H3 | C10 | C18 | H18 | 13.0° | 123.8° |
| H4 | C13 | C16 | H17 | 62.6° | 128.8° |
| H5 | C13 | C16 | H17 | 57.0° | 8.7° |
| H6 | C15 | C11 | H12 | 170.9° | 9.1° |
| H6 | C15 | C11 | H13 | 48.0° | 130.0° |
| H6 | C15 | C14 | H16 | 163.8° | 132.3° |
| H7 | C17 | C20 | H8 | 152.0° | 135.2° |
| H7 | C17 | C19 | H19 | 35.0° | 19.4° |
| H9 | C1 | C2 | H10 | 0.3° | 0.1° |
| H12 | C11 | C18 | H18 | 39.3° | 117.0° |
| H13 | C11 | C18 | H18 | 83.6° | 4.0° |
| H14 | C12 | C14 | H16 | 63.2° | 113.9° |
| H15 | C12 | C14 | H16 | 57.9° | 126.1° |
| H17 | C16 | C19 | H19 | 96.2° | 101.8° |
| H19 | C19 | O36 | H25 | 55.3° | 57.4° |
