T5K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O48 | C47 | sing | 1.43Å | 1.47Å | |
| C47 | C34 | sing | 1.55Å | 1.35Å | |
| C47 | C46 | sing | 1.55Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.45Å | |
| C34 | O35 | sing | 1.44Å | 1.66Å | |
| O31 | P30 | doub | 1.48Å | 1.52Å | |
| C33 | O32 | sing | 1.43Å | 1.43Å | |
| O35 | C36 | sing | 1.44Å | 1.30Å | |
| O32 | P30 | sing | 1.61Å | 1.70Å | |
| C46 | C36 | sing | 1.54Å | 1.61Å | |
| P30 | O29 | sing | 1.61Å | 1.68Å | |
| P30 | O49 | sing | 1.61Å | 1.53Å | |
| O29 | P27 | sing | 1.61Å | 1.65Å | |
| C36 | N37 | sing | 1.47Å | 1.42Å | |
| O50 | P27 | doub | 1.48Å | 1.52Å | |
| P27 | O28 | sing | 1.61Å | 1.51Å | |
| P27 | O26 | sing | 1.61Å | 1.69Å | |
| O43 | C42 | doub | 1.22Å | 1.17Å | |
| N37 | C42 | sing | 1.35Å | 1.50Å | |
| N37 | C38 | sing | 1.37Å | 1.47Å | |
| C42 | N41 | sing | 1.35Å | 1.53Å | |
| C38 | C39 | doub | 1.35Å | 1.47Å | |
| O26 | C04 | sing | 1.43Å | 1.38Å | |
| N41 | C40 | sing | 1.35Å | 1.42Å | |
| C04 | O03 | sing | 1.43Å | 1.46Å | |
| C04 | C05 | sing | 1.53Å | 1.50Å | |
| C39 | C40 | sing | 1.42Å | 1.46Å | |
| C39 | C45 | sing | 1.51Å | 1.50Å | |
| O25 | C05 | sing | 1.43Å | 1.44Å | |
| O03 | C02 | sing | 1.43Å | 1.52Å | |
| C40 | O44 | doub | 1.22Å | 1.18Å | |
| C05 | C06 | sing | 1.53Å | 1.50Å | |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C02 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.49Å | |
| C06 | O24 | sing | 1.43Å | 1.45Å | |
| C07 | N08 | sing | 1.47Å | 1.56Å | |
| N08 | C09 | doub | 1.29Å | 1.29Å | |
| O23 | P20 | doub | 1.48Å | 1.50Å | |
| C09 | C10 | sing | 1.48Å | 1.58Å | |
| O21 | P20 | sing | 1.61Å | 1.57Å | |
| P20 | O22 | sing | 1.61Å | 1.52Å | |
| P20 | O19 | sing | 1.61Å | 1.61Å | |
| O12 | C11 | sing | 1.36Å | 1.40Å | |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| O19 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | C17 | sing | 1.51Å | 1.57Å | |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C13 | N15 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.34Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| O12 | H6 | sing | 0.97Å | 0.95Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.08Å | 1.08Å | |
| C45 | H15 | sing | 1.09Å | 1.10Å | |
| C45 | H16 | sing | 1.09Å | 1.10Å | |
| C45 | H17 | sing | 1.09Å | 1.10Å | |
| C47 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| O21 | H24 | sing | 0.97Å | 0.95Å | |
| O22 | H25 | sing | 0.97Å | 0.95Å | |
| O24 | H26 | sing | 0.97Å | 0.95Å | |
| O25 | H27 | sing | 0.97Å | 0.95Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| N41 | H31 | sing | 0.97Å | 1.00Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| O48 | H34 | sing | 0.97Å | 0.95Å | |
| O49 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O48 | C47 | C34 | 112.2° | 111.0° |
| O48 | C47 | C46 | 107.3° | 110.9° |
| O48 | C47 | H18 | 109.2° | 110.8° |
| C47 | O48 | H34 | 109.5° | 114.0° |
| C34 | C47 | C46 | 108.5° | 102.1° |
| C47 | C34 | C33 | 113.1° | 110.6° |
| C47 | C34 | O35 | 105.0° | 103.5° |
| C47 | C34 | H12 | 111.0° | 110.8° |
| C34 | C47 | H18 | 111.1° | 110.9° |
| C47 | C46 | C36 | 100.2° | 104.2° |
| C46 | C47 | H18 | 108.4° | 110.9° |
| C47 | C46 | H32 | 111.8° | 110.5° |
| C47 | C46 | H33 | 111.8° | 110.5° |
| C33 | C34 | O35 | 111.1° | 110.6° |
| C34 | C33 | O32 | 112.3° | 109.5° |
| C33 | C34 | H12 | 109.5° | 110.5° |
| C34 | C33 | H29 | 108.8° | 109.5° |
| C34 | C33 | H30 | 108.8° | 109.5° |
| C34 | O35 | C36 | 108.0° | 107.0° |
| O35 | C34 | H12 | 106.9° | 110.7° |
| O31 | P30 | O32 | 110.1° | 109.4° |
| O31 | P30 | O29 | 108.5° | 109.5° |
| O31 | P30 | O49 | 109.1° | 109.5° |
| C33 | O32 | P30 | 116.3° | 123.0° |
| O32 | C33 | H29 | 108.8° | 109.5° |
| O32 | C33 | H30 | 108.8° | 109.5° |
| O35 | C36 | C46 | 105.9° | 107.3° |
| O35 | C36 | N37 | 106.9° | 109.9° |
| O35 | C36 | H13 | 114.2° | 109.9° |
| O32 | P30 | O29 | 106.4° | 109.5° |
| O32 | P30 | O49 | 110.0° | 109.5° |
| C46 | C36 | N37 | 108.2° | 109.9° |
| C46 | C36 | H13 | 109.3° | 110.0° |
| C36 | C46 | H32 | 111.7° | 110.5° |
| C36 | C46 | H33 | 111.8° | 110.5° |
| O29 | P30 | O49 | 112.7° | 109.5° |
| P30 | O29 | P27 | 121.7° | 134.0° |
| P30 | O49 | H35 | 109.5° | 114.0° |
| O29 | P27 | O50 | 109.3° | 109.4° |
| O29 | P27 | O28 | 109.5° | 109.5° |
| O29 | P27 | O26 | 106.5° | 109.5° |
| C36 | N37 | C42 | 116.9° | 119.7° |
| C36 | N37 | C38 | 119.5° | 119.6° |
| N37 | C36 | H13 | 112.0° | 109.9° |
| O50 | P27 | O28 | 109.6° | 109.5° |
| O50 | P27 | O26 | 111.6° | 109.5° |
| O28 | P27 | O26 | 110.2° | 109.5° |
| P27 | O28 | H28 | 109.5° | 114.0° |
| P27 | O26 | C04 | 118.9° | 123.0° |
| O43 | C42 | N37 | 123.2° | 119.5° |
| O43 | C42 | N41 | 124.1° | 119.6° |
| C42 | N37 | C38 | 123.7° | 120.7° |
| N37 | C42 | N41 | 112.7° | 120.9° |
| N37 | C38 | C39 | 119.7° | 119.6° |
| N37 | C38 | H14 | 120.2° | 120.2° |
| C42 | N41 | C40 | 123.5° | 120.2° |
| C42 | N41 | H31 | 118.3° | 119.9° |
| C38 | C39 | C40 | 118.8° | 119.1° |
| C38 | C39 | C45 | 119.7° | 120.5° |
| C39 | C38 | H14 | 120.2° | 120.1° |
| O26 | C04 | O03 | 106.7° | 109.5° |
| O26 | C04 | C05 | 108.4° | 109.5° |
| O26 | C04 | H5 | 111.1° | 109.5° |
| N41 | C40 | C39 | 121.7° | 119.4° |
| N41 | C40 | O44 | 116.4° | 120.3° |
| C40 | N41 | H31 | 118.3° | 119.9° |
| O03 | C04 | C05 | 111.4° | 109.4° |
| C04 | O03 | C02 | 110.3° | 114.1° |
| O03 | C04 | H5 | 109.8° | 109.5° |
| C04 | C05 | O25 | 107.3° | 109.5° |
| C04 | C05 | C06 | 111.7° | 109.1° |
| C05 | C04 | H5 | 109.4° | 109.4° |
| C04 | C05 | H19 | 110.0° | 109.6° |
| C40 | C39 | C45 | 121.5° | 120.5° |
| C39 | C40 | O44 | 121.9° | 120.3° |
| C39 | C45 | H15 | 109.5° | 109.4° |
| C39 | C45 | H16 | 109.5° | 109.5° |
| C39 | C45 | H17 | 109.4° | 109.5° |
| O25 | C05 | C06 | 106.9° | 109.5° |
| O25 | C05 | H19 | 110.8° | 109.6° |
| C05 | O25 | H27 | 109.5° | 114.0° |
| O03 | C02 | C01 | 107.1° | 109.5° |
| O03 | C02 | C07 | 113.4° | 109.4° |
| O03 | C02 | H4 | 107.6° | 109.5° |
| C05 | C06 | C07 | 112.1° | 109.0° |
| C05 | C06 | O24 | 104.8° | 109.5° |
| C06 | C05 | H19 | 110.0° | 109.5° |
| C05 | C06 | H20 | 109.5° | 109.5° |
| C01 | C02 | C07 | 113.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.7° | 109.5° |
| C02 | C07 | C06 | 113.3° | 109.2° |
| C02 | C07 | N08 | 117.2° | 109.5° |
| C07 | C02 | H4 | 107.5° | 109.5° |
| C02 | C07 | H21 | 107.5° | 109.5° |
| C07 | C06 | O24 | 110.5° | 109.6° |
| C06 | C07 | N08 | 103.6° | 109.5° |
| C07 | C06 | H20 | 109.6° | 109.5° |
| C06 | C07 | H21 | 107.8° | 109.6° |
| O24 | C06 | H20 | 110.2° | 109.7° |
| C06 | O24 | H26 | 109.5° | 114.0° |
| C07 | N08 | C09 | 123.8° | 120.0° |
| N08 | C07 | H21 | 107.1° | 109.6° |
| N08 | C09 | C10 | 125.0° | 120.0° |
| N08 | C09 | H22 | 117.5° | 120.0° |
| O23 | P20 | O21 | 111.3° | 109.5° |
| O23 | P20 | O22 | 102.9° | 109.4° |
| O23 | P20 | O19 | 112.2° | 109.5° |
| C09 | C10 | C11 | 120.5° | 121.0° |
| C09 | C10 | C17 | 121.1° | 120.9° |
| C10 | C09 | H22 | 117.5° | 120.0° |
| O21 | P20 | O22 | 119.8° | 109.5° |
| O21 | P20 | O19 | 99.9° | 109.5° |
| P20 | O21 | H24 | 109.5° | 114.1° |
| O22 | P20 | O19 | 111.1° | 109.5° |
| P20 | O22 | H25 | 109.5° | 114.0° |
| P20 | O19 | C18 | 118.7° | 123.0° |
| O12 | C11 | C10 | 121.6° | 120.6° |
| O12 | C11 | C13 | 119.3° | 120.5° |
| C11 | O12 | H6 | 109.5° | 114.0° |
| C11 | C10 | C17 | 118.4° | 118.1° |
| C10 | C11 | C13 | 119.1° | 118.8° |
| C10 | C17 | C18 | 120.8° | 120.5° |
| C10 | C17 | C16 | 118.4° | 119.1° |
| O19 | C18 | C17 | 106.5° | 109.5° |
| O19 | C18 | H10 | 110.2° | 109.5° |
| O19 | C18 | H11 | 110.2° | 109.4° |
| C18 | C17 | C16 | 120.8° | 120.5° |
| C17 | C18 | H10 | 110.2° | 109.5° |
| C17 | C18 | H11 | 110.2° | 109.5° |
| C11 | C13 | C14 | 118.9° | 119.6° |
| C11 | C13 | N15 | 121.2° | 120.8° |
| C17 | C16 | N15 | 122.7° | 121.1° |
| C17 | C16 | H23 | 118.6° | 119.5° |
| C14 | C13 | N15 | 119.9° | 119.6° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C13 | C14 | H8 | 109.5° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.4° |
| C13 | N15 | C16 | 120.2° | 122.2° |
| N15 | C16 | H23 | 118.7° | 119.4° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.4° |
| H10 | C18 | H11 | 109.4° | 109.5° |
| H15 | C45 | H16 | 109.5° | 109.4° |
| H15 | C45 | H17 | 109.5° | 109.5° |
| H16 | C45 | H17 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.4° |
| H32 | C46 | H33 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O48 | C47 | C34 | C46 | 118.3° | 118.2° |
| O48 | C47 | C34 | H18 | 122.6° | 123.7° |
| O48 | C47 | C46 | H18 | 117.9° | 123.6° |
| O48 | C47 | C34 | C33 | 138.9° | 86.3° |
| O48 | C47 | C34 | O35 | 99.9° | 155.2° |
| O48 | C47 | C46 | C36 | 89.7° | 139.1° |
| O48 | C47 | C34 | H12 | 15.3° | 36.6° |
| O48 | C47 | C46 | H32 | 151.9° | 20.4° |
| O48 | C47 | C46 | H33 | 28.9° | 102.3° |
| C34 | C47 | C46 | H18 | 120.7° | 118.2° |
| C47 | C34 | C33 | O35 | 117.7° | 114.1° |
| C47 | C34 | C33 | H12 | 124.4° | 123.0° |
| C47 | C34 | O35 | H12 | 118.0° | 118.7° |
| C47 | C34 | C33 | O32 | 34.7° | 179.4° |
| C47 | C34 | O35 | C36 | 5.0° | 40.1° |
| C34 | C47 | C46 | C36 | 31.8° | 20.9° |
| C47 | C34 | C33 | H29 | 155.2° | 59.4° |
| C47 | C34 | C33 | H30 | 85.6° | 60.6° |
| C34 | C47 | C46 | H32 | 86.7° | 97.8° |
| C34 | C47 | C46 | H33 | 150.3° | 139.5° |
| C34 | C47 | O48 | H34 | 180.0° | 180.0° |
| C46 | C47 | C34 | C33 | 102.8° | 155.5° |
| C46 | C47 | C34 | O35 | 18.5° | 37.0° |
| C47 | C46 | C36 | O35 | 34.8° | 2.0° |
| C47 | C46 | C36 | H32 | 118.5° | 118.7° |
| C47 | C46 | C36 | H33 | 118.5° | 118.6° |
| C47 | C46 | C36 | N37 | 149.2° | 121.5° |
| C46 | C47 | C34 | H12 | 133.7° | 81.6° |
| C47 | C46 | C36 | H13 | 88.7° | 117.4° |
| C47 | C46 | H32 | H33 | 124.3° | 122.6° |
| C46 | C47 | O48 | H34 | 60.9° | 67.3° |
| C33 | C34 | O35 | H12 | 119.5° | 122.8° |
| C34 | C33 | O32 | H29 | 120.4° | 120.0° |
| C34 | C33 | O32 | H30 | 120.4° | 120.0° |
| C33 | C34 | O35 | C36 | 127.5° | 158.6° |
| C34 | C33 | O32 | P30 | 160.7° | 179.9° |
| C33 | C34 | C47 | H18 | 16.3° | 37.4° |
| C34 | C33 | H29 | H30 | 118.7° | 120.0° |
| O35 | C34 | C33 | O32 | 83.0° | 66.5° |
| C34 | O35 | C36 | C46 | 24.7° | 26.5° |
| C34 | O35 | C36 | N37 | 140.0° | 146.0° |
| C34 | O35 | C36 | H13 | 95.6° | 93.0° |
| O35 | C34 | C47 | H18 | 137.5° | 81.1° |
| O35 | C34 | C33 | H29 | 37.5° | 173.5° |
| O35 | C34 | C33 | H30 | 156.6° | 53.5° |
| O31 | P30 | O32 | C33 | 71.8° | 55.0° |
| O31 | P30 | O32 | O29 | 117.3° | 120.0° |
| O31 | P30 | O32 | O49 | 120.3° | 120.0° |
| O31 | P30 | O29 | O49 | 121.0° | 120.0° |
| O31 | P30 | O29 | P27 | 167.0° | 45.0° |
| O31 | P30 | O49 | H35 | 0.0° | 180.0° |
| C33 | O32 | P30 | O29 | 45.5° | 175.0° |
| C33 | O32 | P30 | O49 | 167.9° | 64.9° |
| O32 | C33 | C34 | H12 | 159.1° | 56.4° |
| O32 | C33 | H29 | H30 | 118.7° | 120.0° |
| O35 | C36 | C46 | N37 | 114.4° | 119.4° |
| O35 | C36 | C46 | H13 | 123.4° | 119.5° |
| O35 | C36 | N37 | H13 | 125.8° | 121.0° |
| O35 | C36 | N37 | C42 | 111.8° | 53.3° |
| O35 | C36 | N37 | C38 | 67.3° | 126.7° |
| C36 | O35 | C34 | H12 | 113.0° | 78.6° |
| O35 | C36 | C46 | H32 | 83.7° | 120.7° |
| O35 | C36 | C46 | H33 | 153.3° | 116.6° |
| O32 | P30 | O29 | O49 | 120.6° | 120.1° |
| O32 | P30 | O29 | P27 | 74.6° | 164.9° |
| P30 | O32 | C33 | H29 | 78.9° | 60.0° |
| P30 | O32 | C33 | H30 | 40.3° | 59.9° |
| O32 | P30 | O49 | H35 | 120.8° | 60.0° |
| C46 | C36 | N37 | H13 | 120.5° | 121.1° |
| C46 | C36 | N37 | C42 | 134.5° | 64.6° |
| C46 | C36 | N37 | C38 | 46.4° | 115.4° |
| C36 | C46 | C47 | H18 | 152.5° | 97.3° |
| C36 | C46 | H32 | H33 | 124.3° | 122.6° |
| P30 | O29 | P27 | O50 | 159.0° | 45.0° |
| P30 | O29 | P27 | O28 | 80.9° | 75.0° |
| P30 | O29 | P27 | O26 | 38.3° | 165.0° |
| O29 | P30 | O49 | H35 | 120.6° | 60.0° |
| O49 | P30 | O29 | P27 | 46.1° | 75.0° |
| O29 | P27 | O50 | O28 | 120.0° | 120.0° |
| O29 | P27 | O50 | O26 | 117.5° | 120.0° |
| O29 | P27 | O28 | O26 | 116.8° | 120.0° |
| O29 | P27 | O26 | C04 | 145.2° | 174.9° |
| O29 | P27 | O28 | H28 | 120.0° | 60.0° |
| C36 | N37 | C42 | O43 | 0.2° | 0.0° |
| C36 | N37 | C42 | C38 | 179.1° | 180.0° |
| C36 | N37 | C42 | N41 | 179.3° | 179.5° |
| C36 | N37 | C38 | C39 | 179.3° | 180.0° |
| C36 | N37 | C38 | H14 | 0.6° | 0.3° |
| N37 | C36 | C46 | H32 | 30.7° | 119.9° |
| N37 | C36 | C46 | H33 | 92.3° | 2.8° |
| O50 | P27 | O28 | O26 | 123.3° | 120.0° |
| O50 | P27 | O26 | C04 | 95.5° | 55.0° |
| O50 | P27 | O28 | H28 | 0.0° | 179.9° |
| O28 | P27 | O26 | C04 | 26.6° | 65.0° |
| P27 | O26 | C04 | O03 | 77.9° | 90.0° |
| P27 | O26 | C04 | C05 | 162.0° | 150.0° |
| P27 | O26 | C04 | H5 | 41.8° | 30.1° |
| O26 | P27 | O28 | H28 | 123.3° | 60.0° |
| O43 | C42 | N37 | N41 | 179.5° | 179.5° |
| O43 | C42 | N37 | C38 | 179.3° | 180.0° |
| O43 | C42 | N41 | C40 | 180.0° | 179.7° |
| O43 | C42 | N41 | H31 | 0.0° | 0.2° |
| C42 | N37 | C38 | C39 | 0.3° | 0.0° |
| N37 | C42 | N41 | C40 | 0.5° | 0.8° |
| C42 | N37 | C36 | H13 | 14.0° | 174.3° |
| C42 | N37 | C38 | H14 | 179.7° | 179.7° |
| N37 | C42 | N41 | H31 | 179.5° | 179.7° |
| C38 | N37 | C42 | N41 | 0.2° | 0.5° |
| N37 | C38 | C39 | H14 | 180.0° | 179.7° |
| N37 | C38 | C39 | C40 | 0.4° | 0.2° |
| N37 | C38 | C39 | C45 | 180.0° | 179.7° |
| C38 | N37 | C36 | H13 | 166.9° | 5.7° |
| C42 | N41 | C40 | H31 | 180.0° | 179.5° |
| C42 | N41 | C40 | C39 | 1.2° | 0.5° |
| C42 | N41 | C40 | O44 | 179.6° | 179.5° |
| C38 | C39 | C40 | N41 | 1.2° | 0.0° |
| C38 | C39 | C40 | C45 | 179.5° | 180.0° |
| C38 | C39 | C40 | O44 | 179.8° | 180.0° |
| C38 | C39 | C45 | H15 | 180.0° | 90.0° |
| C38 | C39 | C45 | H16 | 60.0° | 150.0° |
| C38 | C39 | C45 | H17 | 60.0° | 30.0° |
| O26 | C04 | O03 | C05 | 118.1° | 120.0° |
| O26 | C04 | O03 | H5 | 120.5° | 120.0° |
| O26 | C04 | C05 | H5 | 121.3° | 120.0° |
| O26 | C04 | C05 | O25 | 59.5° | 57.5° |
| O26 | C04 | O03 | C02 | 60.1° | 58.8° |
| O26 | C04 | C05 | C06 | 57.4° | 62.4° |
| O26 | C04 | C05 | H19 | 179.8° | 177.7° |
| N41 | C40 | C39 | O44 | 179.1° | 180.0° |
| N41 | C40 | C39 | C45 | 179.3° | 180.0° |
| O03 | C04 | C05 | H5 | 121.6° | 119.9° |
| O03 | C04 | C05 | O25 | 176.7° | 177.5° |
| O03 | C04 | C05 | C06 | 59.7° | 57.6° |
| C04 | O03 | C02 | C01 | 177.5° | 178.9° |
| C04 | O03 | C02 | C07 | 51.8° | 61.2° |
| C04 | O03 | C02 | H4 | 66.9° | 58.8° |
| O03 | C04 | C05 | H19 | 62.7° | 62.2° |
| C04 | C05 | O25 | C06 | 120.0° | 119.6° |
| C04 | C05 | O25 | H19 | 120.1° | 120.2° |
| C05 | C04 | O03 | C02 | 58.0° | 61.2° |
| C04 | C05 | C06 | H19 | 122.4° | 119.9° |
| C04 | C05 | C06 | C07 | 53.2° | 57.0° |
| C04 | C05 | C06 | O24 | 173.1° | 176.9° |
| C04 | C05 | C06 | H20 | 68.6° | 62.8° |
| C04 | C05 | O25 | H27 | 180.0° | 60.0° |
| C40 | C39 | C38 | H14 | 179.6° | 179.9° |
| C40 | C39 | C45 | H15 | 0.5° | 89.9° |
| C40 | C39 | C45 | H16 | 120.5° | 30.0° |
| C40 | C39 | C45 | H17 | 119.5° | 150.1° |
| C39 | C40 | N41 | H31 | 178.8° | 180.0° |
| C45 | C39 | C40 | O44 | 0.2° | 0.0° |
| C45 | C39 | C38 | H14 | 0.1° | 0.0° |
| C39 | C45 | H15 | H16 | 120.0° | 120.0° |
| C39 | C45 | H15 | H17 | 120.0° | 120.0° |
| C39 | C45 | H16 | H17 | 120.0° | 120.0° |
| O25 | C05 | C06 | H19 | 120.4° | 120.2° |
| O25 | C05 | C06 | C07 | 170.4° | 176.9° |
| O25 | C05 | C06 | O24 | 69.7° | 63.2° |
| O25 | C05 | C04 | H5 | 61.7° | 62.5° |
| O25 | C05 | C06 | H20 | 48.6° | 57.1° |
| O03 | C02 | C01 | C07 | 125.8° | 120.0° |
| O03 | C02 | C01 | H4 | 115.4° | 120.1° |
| O03 | C02 | C07 | H4 | 118.7° | 120.0° |
| O03 | C02 | C07 | C06 | 46.7° | 57.6° |
| O03 | C02 | C07 | N08 | 73.8° | 62.3° |
| O03 | C02 | C01 | H1 | 180.0° | 59.9° |
| O03 | C02 | C01 | H2 | 60.0° | 60.0° |
| O03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C02 | O03 | C04 | H5 | 179.4° | 178.9° |
| O03 | C02 | C07 | H21 | 165.7° | 177.5° |
| O44 | C40 | N41 | H31 | 0.3° | 0.0° |
| C05 | C06 | C07 | C02 | 46.9° | 56.9° |
| C05 | C06 | C07 | O24 | 116.6° | 119.9° |
| C05 | C06 | C07 | H20 | 121.7° | 119.8° |
| C05 | C06 | O24 | H20 | 117.7° | 120.2° |
| C05 | C06 | C07 | N08 | 81.1° | 62.9° |
| C06 | C05 | C04 | H5 | 178.6° | 177.6° |
| C05 | C06 | C07 | H21 | 165.7° | 176.9° |
| C05 | C06 | O24 | H26 | 180.0° | 60.0° |
| C06 | C05 | O25 | H27 | 60.0° | 179.7° |
| C01 | C02 | C07 | H4 | 118.9° | 120.0° |
| C01 | C02 | C07 | C06 | 169.0° | 177.6° |
| C01 | C02 | C07 | N08 | 48.5° | 57.7° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C07 | H21 | 72.0° | 62.4° |
| C02 | C07 | C06 | N08 | 127.9° | 119.9° |
| C02 | C07 | C06 | H21 | 118.8° | 120.0° |
| C02 | C07 | C06 | O24 | 163.4° | 176.8° |
| C02 | C07 | N08 | H21 | 120.7° | 120.2° |
| C02 | C07 | N08 | C09 | 87.0° | 120.0° |
| C07 | C02 | C01 | H1 | 54.2° | 60.0° |
| C07 | C02 | C01 | H2 | 65.8° | 180.0° |
| C07 | C02 | C01 | H3 | 174.2° | 60.0° |
| C02 | C07 | C06 | H20 | 74.9° | 62.9° |
| C07 | C06 | O24 | H20 | 121.3° | 120.2° |
| C06 | C07 | N08 | H21 | 113.8° | 120.2° |
| C06 | C07 | N08 | C09 | 147.6° | 120.3° |
| C06 | C07 | C02 | H4 | 72.1° | 62.5° |
| C07 | C06 | C05 | H19 | 69.2° | 62.9° |
| C07 | C06 | O24 | H26 | 59.0° | 179.6° |
| O24 | C06 | C07 | N08 | 35.5° | 57.0° |
| O24 | C06 | C05 | H19 | 50.7° | 56.9° |
| O24 | C06 | C07 | H21 | 77.8° | 63.2° |
| C07 | N08 | C09 | C10 | 177.4° | 180.0° |
| N08 | C07 | C02 | H4 | 167.4° | 177.7° |
| N08 | C07 | C06 | H20 | 157.2° | 177.3° |
| C07 | N08 | C09 | H22 | 2.6° | 0.1° |
| N08 | C09 | C10 | H22 | 180.0° | 179.9° |
| N08 | C09 | C10 | C11 | 60.6° | 0.0° |
| N08 | C09 | C10 | C17 | 120.9° | 180.0° |
| C09 | N08 | C07 | H21 | 33.8° | 0.2° |
| O23 | P20 | O21 | O22 | 119.9° | 120.0° |
| O23 | P20 | O21 | O19 | 118.7° | 120.0° |
| O23 | P20 | O22 | O19 | 120.3° | 120.0° |
| O23 | P20 | O19 | C18 | 49.1° | 55.0° |
| O23 | P20 | O21 | H24 | 0.0° | 60.0° |
| O23 | P20 | O22 | H25 | 0.0° | 180.0° |
| C09 | C10 | C11 | O12 | 1.6° | 0.0° |
| C09 | C10 | C11 | C17 | 178.6° | 179.9° |
| C09 | C10 | C17 | C18 | 1.5° | 0.2° |
| C09 | C10 | C11 | C13 | 179.8° | 179.9° |
| C09 | C10 | C17 | C16 | 178.8° | 179.9° |
| O21 | P20 | O22 | O19 | 115.7° | 120.0° |
| O21 | P20 | O19 | C18 | 167.1° | 175.0° |
| O21 | P20 | O22 | H25 | 124.0° | 60.0° |
| O22 | P20 | O19 | C18 | 65.4° | 65.0° |
| O22 | P20 | O21 | H24 | 119.9° | 59.9° |
| P20 | O19 | C18 | C17 | 170.9° | 180.0° |
| P20 | O19 | C18 | H10 | 51.4° | 60.0° |
| P20 | O19 | C18 | H11 | 69.5° | 60.0° |
| O19 | P20 | O21 | H24 | 118.7° | 179.9° |
| O19 | P20 | O22 | H25 | 120.3° | 60.0° |
| O12 | C11 | C10 | C13 | 178.5° | 180.0° |
| O12 | C11 | C10 | C17 | 179.8° | 180.0° |
| O12 | C11 | C13 | C14 | 0.6° | 0.0° |
| O12 | C11 | C13 | N15 | 179.9° | 179.9° |
| C11 | C10 | C17 | C18 | 179.9° | 179.7° |
| C11 | C10 | C17 | C16 | 0.3° | 0.0° |
| C10 | C11 | C13 | C14 | 179.1° | 180.0° |
| C10 | C11 | C13 | N15 | 1.5° | 0.0° |
| C10 | C11 | O12 | H6 | 180.0° | 90.0° |
| C11 | C10 | C09 | H22 | 119.4° | 180.0° |
| C10 | C17 | C18 | O19 | 85.0° | 179.7° |
| C10 | C17 | C18 | C16 | 179.7° | 179.7° |
| C17 | C10 | C11 | C13 | 1.3° | 0.0° |
| C10 | C17 | C16 | N15 | 0.6° | 0.0° |
| C10 | C17 | C18 | H10 | 34.6° | 59.7° |
| C10 | C17 | C18 | H11 | 155.5° | 60.3° |
| C17 | C10 | C09 | H22 | 59.1° | 0.1° |
| C10 | C17 | C16 | H23 | 179.3° | 179.8° |
| O19 | C18 | C17 | H10 | 119.5° | 120.0° |
| O19 | C18 | C17 | H11 | 119.6° | 119.9° |
| O19 | C18 | C17 | C16 | 95.3° | 0.0° |
| O19 | C18 | H10 | H11 | 121.4° | 120.0° |
| C18 | C17 | C16 | N15 | 179.1° | 179.7° |
| C17 | C18 | H10 | H11 | 121.3° | 120.0° |
| C18 | C17 | C16 | H23 | 1.0° | 0.1° |
| C11 | C13 | C14 | N15 | 179.4° | 179.9° |
| C11 | C13 | N15 | C16 | 0.7° | 0.1° |
| C13 | C11 | O12 | H6 | 1.5° | 90.0° |
| C11 | C13 | C14 | H7 | 179.4° | 90.0° |
| C11 | C13 | C14 | H8 | 59.4° | 150.0° |
| C11 | C13 | C14 | H9 | 60.6° | 30.0° |
| C17 | C16 | N15 | C13 | 0.4° | 0.1° |
| C17 | C16 | N15 | H23 | 180.0° | 179.8° |
| C16 | C17 | C18 | H10 | 145.1° | 120.0° |
| C16 | C17 | C18 | H11 | 24.2° | 120.0° |
| C14 | C13 | N15 | C16 | 180.0° | 180.0° |
| C13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C13 | C14 | H7 | H9 | 120.0° | 120.0° |
| C13 | C14 | H8 | H9 | 120.0° | 119.9° |
| N15 | C13 | C14 | H7 | 0.0° | 90.0° |
| N15 | C13 | C14 | H8 | 120.0° | 30.1° |
| N15 | C13 | C14 | H9 | 120.0° | 150.0° |
| C13 | N15 | C16 | H23 | 179.5° | 179.8° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 64.6° | 180.0° |
| H2 | C01 | C02 | H4 | 175.4° | 60.0° |
| H3 | C01 | C02 | H4 | 55.4° | 60.0° |
| H4 | C02 | C07 | H21 | 46.9° | 57.5° |
| H5 | C04 | C05 | H19 | 59.0° | 57.7° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H12 | C34 | C47 | H18 | 107.3° | 160.2° |
| H12 | C34 | C33 | H29 | 80.5° | 63.6° |
| H12 | C34 | C33 | H30 | 38.7° | 176.4° |
| H13 | C36 | C46 | H32 | 152.8° | 1.2° |
| H13 | C36 | C46 | H33 | 29.8° | 123.9° |
| H15 | C45 | H16 | H17 | 120.0° | 120.0° |
| H18 | C47 | C46 | H32 | 34.0° | 144.0° |
| H18 | C47 | C46 | H33 | 89.0° | 21.3° |
| H18 | C47 | O48 | H34 | 56.4° | 56.3° |
| H19 | C05 | C06 | H20 | 169.0° | 177.3° |
| H19 | C05 | O25 | H27 | 59.9° | 60.2° |
| H20 | C06 | C07 | H21 | 43.9° | 57.1° |
| H20 | C06 | O24 | H26 | 62.3° | 60.2° |
