X5J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S40 | P38 | sing | 2.12Å | 2.09Å | |
| O30 | P38 | doub | 1.48Å | 1.50Å | |
| P38 | O32 | sing | 1.61Å | 1.63Å | |
| P38 | O36 | sing | 1.61Å | 1.64Å | |
| C10 | C15 | sing | 1.53Å | 1.51Å | |
| C10 | C14 | sing | 1.53Å | 1.52Å | |
| O32 | C12 | sing | 1.43Å | 1.41Å | |
| C12 | C14 | sing | 1.53Å | 1.50Å | |
| N28 | C15 | sing | 1.46Å | 1.46Å | |
| N28 | C6 | sing | 1.39Å | 1.41Å | |
| C1 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C11 | sing | 1.53Å | 1.50Å | |
| C6 | N22 | doub | 1.33Å | 1.34Å | Aromatic |
| O36 | C18 | sing | 1.43Å | 1.41Å | |
| C14 | C16 | sing | 1.53Å | 1.50Å | |
| C2 | N21 | sing | 1.33Å | 1.33Å | Aromatic |
| N27 | C9 | sing | 1.37Å | 1.36Å | |
| N22 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| N21 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N26 | sing | 1.36Å | 1.39Å | |
| C9 | N24 | doub | 1.31Å | 1.29Å | |
| N26 | C8 | sing | 1.35Å | 1.41Å | |
| N24 | C7 | sing | 1.34Å | 1.35Å | |
| C16 | C11 | sing | 1.53Å | 1.50Å | |
| C16 | O35 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.54Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| O37 | C19 | sing | 1.43Å | 1.45Å | |
| C8 | O29 | doub | 1.22Å | 1.24Å | |
| C8 | C5 | sing | 1.41Å | 1.45Å | |
| C7 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| C7 | N25 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | C17 | sing | 1.54Å | 1.50Å | |
| C5 | N23 | sing | 1.36Å | 1.37Å | Aromatic |
| C20 | N25 | sing | 1.46Å | 1.46Å | |
| C20 | O34 | sing | 1.43Å | 1.41Å | |
| N25 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| O35 | P39 | sing | 1.61Å | 1.64Å | |
| N23 | C4 | doub | 1.30Å | 1.32Å | Aromatic |
| C17 | O34 | sing | 1.43Å | 1.43Å | |
| C17 | C13 | sing | 1.53Å | 1.51Å | |
| P39 | O33 | sing | 1.61Å | 1.63Å | |
| P39 | O31 | doub | 1.48Å | 1.51Å | |
| P39 | S41 | sing | 2.12Å | 2.09Å | |
| O33 | C13 | sing | 1.43Å | 1.41Å | |
| 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 | |
| N28 | H23 | sing | 0.97Å | 1.00Å | |
| O37 | H24 | sing | 0.97Å | 0.95Å | |
| S40 | H25 | sing | 1.35Å | 1.30Å | |
| S41 | H26 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S40 | P38 | O30 | 113.1° | 109.4° |
| S40 | P38 | O32 | 110.1° | 109.5° |
| S40 | P38 | O36 | 103.9° | 109.4° |
| P38 | S40 | H25 | 102.0° | 103.0° |
| O30 | P38 | O32 | 109.2° | 109.4° |
| O30 | P38 | O36 | 113.7° | 109.4° |
| O32 | P38 | O36 | 106.6° | 109.9° |
| P38 | O32 | C12 | 120.9° | 123.1° |
| P38 | O36 | C18 | 123.0° | 123.1° |
| C15 | C10 | C14 | 106.5° | 107.5° |
| C10 | C15 | N28 | 108.7° | 109.7° |
| C10 | C15 | C11 | 102.7° | 108.3° |
| C15 | C10 | H2 | 110.2° | 109.8° |
| C15 | C10 | H3 | 110.2° | 109.9° |
| C10 | C15 | H6 | 111.2° | 109.7° |
| C10 | C14 | C12 | 114.3° | 109.9° |
| C10 | C14 | C16 | 105.1° | 107.7° |
| C14 | C10 | H2 | 110.2° | 109.9° |
| C14 | C10 | H3 | 110.2° | 109.9° |
| C10 | C14 | H16 | 107.8° | 109.6° |
| O32 | C12 | C14 | 107.4° | 109.3° |
| O32 | C12 | H14 | 110.0° | 109.5° |
| O32 | C12 | H15 | 110.0° | 109.6° |
| C12 | C14 | C16 | 113.1° | 110.0° |
| C14 | C12 | H14 | 110.0° | 109.5° |
| C14 | C12 | H15 | 110.0° | 109.5° |
| C12 | C14 | H16 | 108.1° | 109.8° |
| C15 | N28 | C6 | 112.1° | 120.0° |
| N28 | C15 | C11 | 110.4° | 109.7° |
| N28 | C15 | H6 | 112.0° | 109.7° |
| C15 | N28 | H23 | 108.8° | 120.0° |
| N28 | C6 | C1 | 117.9° | 120.6° |
| N28 | C6 | N22 | 121.0° | 120.5° |
| C6 | N28 | H23 | 108.8° | 120.0° |
| C6 | C1 | C2 | 117.9° | 118.4° |
| C1 | C6 | N22 | 121.0° | 118.9° |
| C6 | C1 | H9 | 121.1° | 120.8° |
| C1 | C2 | N21 | 123.2° | 119.2° |
| C2 | C1 | H9 | 121.0° | 120.8° |
| C1 | C2 | H10 | 118.4° | 120.4° |
| C15 | C11 | C16 | 102.5° | 107.5° |
| C11 | C15 | H6 | 111.4° | 109.7° |
| C15 | C11 | H12 | 111.2° | 109.8° |
| C15 | C11 | H13 | 111.2° | 109.8° |
| C6 | N22 | C3 | 116.1° | 120.7° |
| O36 | C18 | C19 | 115.1° | 110.0° |
| O36 | C18 | C20 | 110.4° | 110.4° |
| O36 | C18 | H18 | 109.9° | 110.6° |
| C14 | C16 | C11 | 103.4° | 107.7° |
| C14 | C16 | O35 | 111.3° | 109.8° |
| C16 | C14 | H16 | 108.1° | 109.8° |
| C14 | C16 | H17 | 110.7° | 109.8° |
| C2 | N21 | C3 | 114.1° | 121.0° |
| N21 | C2 | H10 | 118.4° | 120.4° |
| N27 | C9 | N26 | 118.7° | 119.0° |
| N27 | C9 | N24 | 120.1° | 119.0° |
| C9 | N27 | H21 | 120.0° | 120.0° |
| C9 | N27 | H22 | 120.0° | 120.0° |
| N22 | C3 | N21 | 127.7° | 121.8° |
| N22 | C3 | H11 | 116.2° | 119.1° |
| N21 | C3 | H11 | 116.2° | 119.1° |
| N26 | C9 | N24 | 121.2° | 121.9° |
| C9 | N26 | C8 | 127.0° | 120.3° |
| C9 | N26 | H20 | 116.5° | 119.8° |
| C9 | N24 | C7 | 114.8° | 121.2° |
| N26 | C8 | O29 | 127.6° | 120.8° |
| N26 | C8 | C5 | 110.0° | 118.3° |
| C8 | N26 | H20 | 116.5° | 119.9° |
| N24 | C7 | C5 | 128.9° | 119.7° |
| N24 | C7 | N25 | 125.5° | 134.3° |
| C11 | C16 | O35 | 108.3° | 109.9° |
| C16 | C11 | H12 | 111.2° | 109.9° |
| C16 | C11 | H13 | 111.2° | 110.0° |
| C11 | C16 | H17 | 110.7° | 109.5° |
| C16 | O35 | P39 | 125.3° | 123.0° |
| O35 | C16 | H17 | 112.0° | 110.1° |
| C19 | C18 | C20 | 104.1° | 105.0° |
| C18 | C19 | O37 | 115.6° | 110.4° |
| C18 | C19 | C17 | 100.2° | 104.7° |
| C19 | C18 | H18 | 108.4° | 110.3° |
| C18 | C19 | H19 | 109.6° | 110.4° |
| C18 | C20 | N25 | 116.8° | 109.7° |
| C18 | C20 | O34 | 105.0° | 108.6° |
| C18 | C20 | H8 | 106.2° | 109.5° |
| C20 | C18 | H18 | 108.6° | 110.4° |
| O37 | C19 | C17 | 110.2° | 110.4° |
| O37 | C19 | H19 | 110.8° | 110.4° |
| C19 | O37 | H24 | 109.5° | 114.0° |
| O29 | C8 | C5 | 122.4° | 120.8° |
| C8 | C5 | C7 | 118.0° | 118.6° |
| C8 | C5 | N23 | 131.2° | 134.1° |
| C5 | C7 | N25 | 105.6° | 106.1° |
| C7 | C5 | N23 | 110.7° | 107.3° |
| C7 | N25 | C20 | 123.9° | 126.2° |
| C7 | N25 | C4 | 106.7° | 107.5° |
| C19 | C17 | O34 | 107.7° | 107.5° |
| C19 | C17 | C13 | 112.3° | 109.6° |
| C19 | C17 | H7 | 108.5° | 109.8° |
| C17 | C19 | H19 | 110.0° | 110.4° |
| C5 | N23 | C4 | 105.3° | 109.3° |
| N25 | C20 | O34 | 114.3° | 109.7° |
| C20 | N25 | C4 | 129.4° | 126.3° |
| N25 | C20 | H8 | 106.7° | 109.7° |
| C20 | O34 | C17 | 110.1° | 109.9° |
| O34 | C20 | H8 | 107.3° | 109.7° |
| N25 | C4 | N23 | 111.7° | 109.8° |
| N25 | C4 | H1 | 124.2° | 125.1° |
| O35 | P39 | O33 | 104.5° | 109.6° |
| O35 | P39 | O31 | 114.8° | 109.4° |
| O35 | P39 | S41 | 102.7° | 109.5° |
| N23 | C4 | H1 | 124.1° | 125.1° |
| O34 | C17 | C13 | 110.5° | 110.2° |
| O34 | C17 | H7 | 109.4° | 110.0° |
| C17 | C13 | O33 | 113.6° | 109.1° |
| C17 | C13 | H4 | 108.4° | 109.6° |
| C17 | C13 | H5 | 108.4° | 109.6° |
| C13 | C17 | H7 | 108.4° | 109.8° |
| O33 | P39 | O31 | 111.9° | 109.4° |
| O33 | P39 | S41 | 109.4° | 109.4° |
| P39 | O33 | C13 | 118.9° | 122.9° |
| O31 | P39 | S41 | 112.9° | 109.4° |
| P39 | S41 | H26 | 102.0° | 103.0° |
| O33 | C13 | H4 | 108.4° | 109.6° |
| O33 | C13 | H5 | 108.4° | 109.5° |
| 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° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S40 | P38 | O30 | O32 | 123.0° | 119.9° |
| S40 | P38 | O30 | O36 | 118.1° | 119.8° |
| S40 | P38 | O32 | O36 | 112.1° | 120.1° |
| S40 | P38 | O32 | C12 | 43.8° | 79.2° |
| S40 | P38 | O36 | C18 | 138.1° | 162.5° |
| O30 | P38 | O32 | O36 | 123.2° | 120.0° |
| O30 | P38 | O32 | C12 | 168.5° | 40.6° |
| O30 | P38 | O36 | C18 | 98.6° | 42.7° |
| O30 | P38 | S40 | H25 | 180.0° | 60.0° |
| P38 | O32 | C12 | C14 | 176.4° | 167.9° |
| O32 | P38 | O36 | C18 | 21.8° | 77.3° |
| P38 | O32 | C12 | H14 | 56.7° | 48.0° |
| P38 | O32 | C12 | H15 | 63.9° | 72.1° |
| O32 | P38 | S40 | H25 | 57.5° | 59.8° |
| O36 | P38 | O32 | C12 | 68.3° | 160.7° |
| P38 | O36 | C18 | C19 | 125.1° | 37.9° |
| P38 | O36 | C18 | C20 | 117.5° | 153.3° |
| P38 | O36 | C18 | H18 | 2.3° | 84.2° |
| O36 | P38 | S40 | H25 | 56.3° | 179.8° |
| C15 | C10 | C14 | H2 | 119.5° | 119.4° |
| C15 | C10 | C14 | H3 | 119.5° | 119.5° |
| C15 | C10 | C14 | C12 | 127.8° | 129.8° |
| C10 | C15 | N28 | C11 | 111.9° | 118.8° |
| C10 | C15 | N28 | H6 | 123.3° | 120.6° |
| C10 | C15 | N28 | C6 | 166.8° | 155.0° |
| C10 | C15 | C11 | H6 | 119.2° | 119.7° |
| C15 | C10 | C14 | C16 | 3.2° | 10.0° |
| C10 | C15 | C11 | C16 | 41.2° | 4.0° |
| C15 | C10 | H2 | H3 | 121.4° | 121.0° |
| C10 | C15 | C11 | H12 | 77.7° | 115.5° |
| C10 | C15 | C11 | H13 | 160.0° | 123.6° |
| C15 | C10 | C14 | H16 | 112.0° | 109.4° |
| C10 | C15 | N28 | H23 | 46.4° | 25.0° |
| C10 | C14 | C12 | O32 | 68.2° | 141.2° |
| C10 | C14 | C12 | C16 | 120.3° | 118.4° |
| C10 | C14 | C12 | H16 | 120.0° | 120.7° |
| C14 | C10 | C15 | N28 | 93.6° | 123.4° |
| C14 | C10 | C15 | C11 | 23.4° | 3.7° |
| C10 | C14 | C16 | H16 | 115.0° | 119.3° |
| C10 | C14 | C16 | C11 | 28.7° | 12.6° |
| C10 | C14 | C16 | O35 | 144.8° | 132.3° |
| C14 | C10 | H2 | H3 | 121.3° | 121.0° |
| C14 | C10 | C15 | H6 | 142.6° | 116.0° |
| C10 | C14 | C12 | H14 | 172.1° | 98.9° |
| C10 | C14 | C12 | H15 | 51.5° | 21.2° |
| C10 | C14 | C16 | H17 | 89.9° | 106.6° |
| O32 | C12 | C14 | H14 | 119.7° | 119.9° |
| O32 | C12 | C14 | H15 | 119.7° | 120.0° |
| O32 | C12 | C14 | C16 | 52.1° | 100.4° |
| O32 | C12 | H14 | H15 | 121.0° | 120.1° |
| O32 | C12 | C14 | H16 | 171.8° | 20.5° |
| C12 | C14 | C16 | H16 | 119.6° | 120.9° |
| C12 | C14 | C16 | C11 | 154.1° | 132.3° |
| C12 | C14 | C16 | O35 | 89.8° | 108.0° |
| C12 | C14 | C10 | H2 | 8.3° | 10.4° |
| C12 | C14 | C10 | H3 | 112.6° | 110.6° |
| C14 | C12 | H14 | H15 | 121.0° | 120.0° |
| C12 | C14 | C16 | H17 | 35.5° | 13.2° |
| C15 | N28 | C6 | H23 | 120.4° | 180.0° |
| C15 | N28 | C6 | C1 | 179.4° | 0.3° |
| N28 | C15 | C11 | H6 | 125.1° | 120.6° |
| C15 | N28 | C6 | N22 | 0.4° | 180.0° |
| N28 | C15 | C11 | C16 | 74.6° | 115.7° |
| N28 | C15 | C10 | H2 | 26.0° | 4.0° |
| N28 | C15 | C10 | H3 | 146.9° | 117.1° |
| N28 | C15 | C11 | H12 | 166.5° | 124.8° |
| N28 | C15 | C11 | H13 | 44.3° | 3.9° |
| N28 | C6 | C1 | N22 | 179.8° | 179.7° |
| N28 | C6 | C1 | C2 | 179.8° | 179.8° |
| C6 | N28 | C15 | C11 | 81.3° | 86.2° |
| N28 | C6 | N22 | C3 | 179.9° | 179.7° |
| C6 | N28 | C15 | H6 | 43.5° | 34.4° |
| N28 | C6 | C1 | H9 | 0.3° | 0.4° |
| C6 | C1 | C2 | H9 | 180.0° | 179.8° |
| C6 | C1 | C2 | N21 | 0.1° | 0.1° |
| C1 | C6 | N22 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H10 | 180.0° | 180.0° |
| C1 | C6 | N28 | H23 | 59.0° | 179.7° |
| C2 | C1 | C6 | N22 | 0.0° | 0.1° |
| C1 | C2 | N21 | H10 | 180.0° | 179.9° |
| C1 | C2 | N21 | C3 | 0.2° | 0.1° |
| C15 | C11 | C16 | C14 | 43.7° | 10.2° |
| C15 | C11 | C16 | H12 | 118.9° | 119.4° |
| C15 | C11 | C16 | H13 | 118.9° | 119.5° |
| C15 | C11 | C16 | O35 | 161.9° | 129.8° |
| C11 | C15 | C10 | H2 | 143.0° | 115.7° |
| C11 | C15 | C10 | H3 | 96.1° | 123.2° |
| C15 | C11 | H12 | H13 | 123.3° | 120.9° |
| C15 | C11 | C16 | H17 | 74.9° | 109.1° |
| C11 | C15 | N28 | H23 | 158.4° | 93.8° |
| C6 | N22 | C3 | N21 | 0.3° | 0.0° |
| N22 | C6 | C1 | H9 | 180.0° | 179.9° |
| C6 | N22 | C3 | H11 | 179.7° | 180.0° |
| N22 | C6 | N28 | H23 | 120.8° | 0.1° |
| O36 | C18 | C19 | C20 | 120.9° | 118.8° |
| O36 | C18 | C19 | H18 | 123.6° | 122.3° |
| O36 | C18 | C20 | H18 | 120.6° | 122.6° |
| O36 | C18 | C19 | O37 | 37.9° | 8.9° |
| O36 | C18 | C19 | C17 | 156.2° | 109.9° |
| O36 | C18 | C20 | N25 | 78.0° | 117.9° |
| O36 | C18 | C20 | O34 | 154.2° | 122.2° |
| O36 | C18 | C20 | H8 | 40.8° | 2.5° |
| O36 | C18 | C19 | H19 | 88.1° | 131.2° |
| C14 | C16 | C11 | O35 | 118.2° | 119.6° |
| C14 | C16 | C11 | H17 | 118.6° | 119.3° |
| C14 | C16 | O35 | H17 | 124.6° | 120.9° |
| C14 | C16 | O35 | P39 | 164.9° | 137.2° |
| C16 | C14 | C10 | H2 | 116.4° | 109.4° |
| C16 | C14 | C10 | H3 | 122.7° | 129.6° |
| C14 | C16 | C11 | H12 | 75.1° | 109.2° |
| C14 | C16 | C11 | H13 | 162.6° | 129.7° |
| C16 | C14 | C12 | H14 | 67.6° | 19.5° |
| C16 | C14 | C12 | H15 | 171.8° | 139.6° |
| C2 | N21 | C3 | N22 | 0.4° | 0.0° |
| N21 | C2 | C1 | H9 | 180.0° | 179.9° |
| C2 | N21 | C3 | H11 | 179.6° | 180.0° |
| N27 | C9 | N26 | N24 | 179.8° | 179.8° |
| N27 | C9 | N26 | C8 | 179.4° | 180.0° |
| N27 | C9 | N24 | C7 | 179.5° | 180.0° |
| N27 | C9 | N26 | H20 | 0.6° | 0.2° |
| C9 | N27 | H21 | H22 | 180.0° | 179.9° |
| N22 | C3 | N21 | H11 | 180.0° | 180.0° |
| C3 | N21 | C2 | H10 | 179.8° | 180.0° |
| C9 | N26 | C8 | H20 | 180.0° | 179.8° |
| N26 | C9 | N24 | C7 | 0.2° | 0.2° |
| C9 | N26 | C8 | O29 | 179.7° | 180.0° |
| C9 | N26 | C8 | C5 | 0.0° | 0.0° |
| N26 | C9 | N27 | H21 | 179.8° | 0.1° |
| N26 | C9 | N27 | H22 | 0.3° | 180.0° |
| N24 | C9 | N26 | C8 | 0.3° | 0.1° |
| C9 | N24 | C7 | C5 | 0.2° | 0.0° |
| C9 | N24 | C7 | N25 | 179.7° | 180.0° |
| N24 | C9 | N26 | H20 | 179.7° | 180.0° |
| N24 | C9 | N27 | H21 | 0.0° | 179.9° |
| N24 | C9 | N27 | H22 | 180.0° | 0.2° |
| N26 | C8 | O29 | C5 | 179.7° | 179.9° |
| N26 | C8 | C5 | C7 | 0.3° | 0.2° |
| N26 | C8 | C5 | N23 | 179.7° | 180.0° |
| N24 | C7 | C5 | C8 | 0.4° | 0.1° |
| N24 | C7 | C5 | N25 | 179.6° | 180.0° |
| N24 | C7 | C5 | N23 | 180.0° | 180.0° |
| N24 | C7 | N25 | C20 | 0.6° | 0.0° |
| N24 | C7 | N25 | C4 | 180.0° | 179.9° |
| C11 | C16 | O35 | H17 | 122.4° | 120.7° |
| C11 | C16 | O35 | P39 | 82.1° | 104.5° |
| C16 | C11 | C15 | H6 | 160.3° | 123.7° |
| C16 | C11 | H12 | H13 | 123.2° | 121.1° |
| C11 | C16 | C14 | H16 | 86.3° | 106.7° |
| C16 | O35 | P39 | O33 | 85.9° | 155.0° |
| C16 | O35 | P39 | O31 | 37.0° | 35.0° |
| C16 | O35 | P39 | S41 | 159.8° | 84.9° |
| O35 | C16 | C11 | H12 | 43.1° | 10.4° |
| O35 | C16 | C11 | H13 | 79.2° | 110.6° |
| O35 | C16 | C14 | H16 | 29.8° | 13.0° |
| C19 | C18 | C20 | H18 | 115.4° | 118.8° |
| C18 | C19 | O37 | C17 | 112.6° | 115.3° |
| C18 | C19 | O37 | H19 | 125.4° | 122.4° |
| C18 | C19 | C17 | H19 | 115.4° | 118.9° |
| C19 | C18 | C20 | N25 | 157.9° | 123.5° |
| C19 | C18 | C20 | O34 | 30.1° | 3.7° |
| C18 | C19 | C17 | O34 | 28.8° | 18.6° |
| C18 | C19 | C17 | C13 | 93.2° | 138.4° |
| C18 | C19 | C17 | H7 | 147.0° | 100.9° |
| C19 | C18 | C20 | H8 | 83.3° | 116.0° |
| C18 | C19 | O37 | H24 | 180.0° | 179.9° |
| C20 | C18 | C19 | O37 | 83.0° | 127.6° |
| C18 | C20 | N25 | C7 | 113.2° | 84.4° |
| C20 | C18 | C19 | C17 | 35.3° | 8.8° |
| C18 | C20 | N25 | O34 | 123.1° | 119.1° |
| C18 | C20 | N25 | H8 | 118.5° | 120.3° |
| C18 | C20 | O34 | H8 | 112.6° | 119.6° |
| C18 | C20 | N25 | C4 | 67.5° | 95.7° |
| C18 | C20 | O34 | C17 | 12.1° | 16.1° |
| C20 | C18 | C19 | H19 | 151.0° | 110.0° |
| O37 | C19 | C17 | H19 | 122.4° | 122.3° |
| O37 | C19 | C17 | O34 | 93.4° | 137.4° |
| O37 | C19 | C17 | C13 | 144.6° | 102.7° |
| O37 | C19 | C17 | H7 | 24.8° | 17.9° |
| O37 | C19 | C18 | H18 | 161.5° | 113.4° |
| O29 | C8 | C5 | C7 | 179.4° | 179.9° |
| O29 | C8 | C5 | N23 | 0.0° | 0.1° |
| O29 | C8 | N26 | H20 | 0.2° | 0.1° |
| C8 | C5 | C7 | N23 | 179.6° | 179.9° |
| C8 | C5 | C7 | N25 | 179.9° | 179.8° |
| C8 | C5 | N23 | C4 | 179.7° | 180.0° |
| C5 | C8 | N26 | H20 | 180.0° | 179.8° |
| C5 | C7 | N25 | C20 | 179.7° | 180.0° |
| C5 | C7 | N25 | C4 | 0.3° | 0.2° |
| C7 | C5 | N23 | C4 | 0.3° | 0.1° |
| N25 | C7 | C5 | N23 | 0.4° | 0.0° |
| C7 | N25 | C20 | C4 | 179.3° | 179.8° |
| C7 | N25 | C20 | O34 | 123.7° | 156.4° |
| C7 | N25 | C4 | N23 | 0.2° | 0.2° |
| C7 | N25 | C4 | H1 | 179.8° | 180.0° |
| C7 | N25 | C20 | H8 | 5.3° | 35.9° |
| C19 | C17 | O34 | C20 | 11.1° | 21.9° |
| C19 | C17 | O34 | C13 | 123.0° | 119.4° |
| C19 | C17 | O34 | H7 | 117.7° | 119.4° |
| C19 | C17 | C13 | H7 | 119.9° | 120.6° |
| C19 | C17 | C13 | O33 | 85.0° | 92.4° |
| C19 | C17 | C13 | H4 | 154.4° | 27.5° |
| C19 | C17 | C13 | H5 | 35.6° | 147.7° |
| C17 | C19 | C18 | H18 | 80.2° | 127.7° |
| C17 | C19 | O37 | H24 | 67.3° | 64.6° |
| C5 | N23 | C4 | N25 | 0.0° | 0.2° |
| C5 | N23 | C4 | H1 | 180.0° | 179.9° |
| N25 | C20 | O34 | H8 | 118.1° | 120.6° |
| C20 | N25 | C4 | N23 | 179.6° | 179.9° |
| N25 | C20 | O34 | C17 | 141.4° | 136.0° |
| C20 | N25 | C4 | H1 | 0.4° | 0.2° |
| N25 | C20 | C18 | H18 | 42.6° | 4.7° |
| O34 | C20 | N25 | C4 | 55.6° | 23.4° |
| C20 | O34 | C17 | C13 | 111.9° | 141.3° |
| C20 | O34 | C17 | H7 | 128.9° | 97.5° |
| O34 | C20 | C18 | H18 | 85.2° | 115.1° |
| N25 | C4 | N23 | H1 | 180.0° | 179.7° |
| C4 | N25 | C20 | H8 | 174.0° | 143.9° |
| O35 | P39 | O33 | O31 | 124.8° | 120.0° |
| O35 | P39 | O33 | S41 | 109.4° | 120.1° |
| O35 | P39 | O31 | S41 | 117.2° | 119.9° |
| O35 | P39 | O33 | C13 | 76.0° | 111.3° |
| P39 | O35 | C16 | H17 | 40.3° | 16.2° |
| O35 | P39 | S41 | H26 | 180.0° | 180.0° |
| O34 | C17 | C13 | H7 | 119.8° | 121.3° |
| O34 | C17 | C13 | O33 | 35.3° | 149.5° |
| O34 | C17 | C13 | H4 | 85.3° | 90.6° |
| O34 | C17 | C13 | H5 | 155.9° | 29.6° |
| C17 | O34 | C20 | H8 | 100.5° | 103.5° |
| O34 | C17 | C19 | H19 | 144.2° | 100.2° |
| C17 | C13 | O33 | P39 | 151.1° | 75.5° |
| C17 | C13 | O33 | H4 | 120.6° | 119.9° |
| C17 | C13 | O33 | H5 | 120.6° | 120.0° |
| C17 | C13 | H4 | H5 | 118.1° | 120.3° |
| C13 | C17 | C19 | H19 | 22.2° | 19.6° |
| O33 | P39 | O31 | S41 | 123.9° | 119.9° |
| P39 | O33 | C13 | H4 | 88.3° | 44.4° |
| P39 | O33 | C13 | H5 | 30.5° | 164.5° |
| O33 | P39 | S41 | H26 | 69.4° | 59.8° |
| O31 | P39 | O33 | C13 | 159.2° | 8.7° |
| O31 | P39 | S41 | H26 | 55.9° | 60.1° |
| S41 | P39 | O33 | C13 | 33.4° | 128.6° |
| O33 | C13 | H4 | H5 | 118.1° | 120.1° |
| O33 | C13 | C17 | H7 | 155.1° | 28.2° |
| H2 | C10 | C15 | H6 | 97.8° | 124.6° |
| H2 | C10 | C14 | H16 | 128.5° | 131.2° |
| H3 | C10 | C15 | H6 | 23.1° | 3.5° |
| H3 | C10 | C14 | H16 | 7.6° | 10.1° |
| H4 | C13 | C17 | H7 | 34.5° | 148.1° |
| H5 | C13 | C17 | H7 | 84.2° | 91.7° |
| H6 | C15 | C11 | H12 | 41.4° | 4.2° |
| H6 | C15 | C11 | H13 | 80.8° | 116.7° |
| H6 | C15 | N28 | H23 | 76.9° | 145.6° |
| H7 | C17 | C19 | H19 | 97.5° | 140.2° |
| H8 | C20 | C18 | H18 | 161.4° | 125.2° |
| H9 | C1 | C2 | H10 | 0.0° | 0.2° |
| H12 | C11 | C16 | H17 | 166.2° | 131.5° |
| H13 | C11 | C16 | H17 | 44.0° | 10.4° |
| H14 | C12 | C14 | H16 | 52.1° | 140.4° |
| H15 | C12 | C14 | H16 | 68.5° | 99.5° |
| H16 | C14 | C16 | H17 | 155.1° | 134.1° |
| H18 | C18 | C19 | H19 | 35.5° | 8.9° |
| H19 | C19 | O37 | H24 | 54.6° | 57.7° |
