KWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C47 | C48 | doub | 1.38Å | 1.36Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.37Å | Aromatic |
| O32 | P11 | doub | 1.48Å | 1.49Å | |
| O33 | P11 | sing | 1.61Å | 1.48Å | |
| C48 | C43 | sing | 1.39Å | 1.38Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| P11 | O10 | sing | 1.61Å | 1.66Å | |
| P11 | O12 | sing | 1.61Å | 1.59Å | |
| C43 | C42 | sing | 1.48Å | 1.48Å | |
| C43 | C44 | doub | 1.39Å | 1.36Å | Aromatic |
| O34 | C08 | sing | 1.43Å | 1.45Å | |
| O34 | C35 | sing | 1.43Å | 1.44Å | |
| C41 | C42 | doub | 1.39Å | 1.36Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.36Å | Aromatic |
| C42 | C49 | sing | 1.39Å | 1.36Å | Aromatic |
| C09 | O10 | sing | 1.43Å | 1.40Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | doub | 1.40Å | 1.39Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.35Å | Aromatic |
| C39 | C50 | sing | 1.40Å | 1.36Å | Aromatic |
| C39 | C38 | sing | 1.48Å | 1.51Å | |
| C37 | C38 | doub | 1.36Å | 1.38Å | Aromatic |
| C37 | N36 | sing | 1.37Å | 1.31Å | Aromatic |
| C08 | C03 | sing | 1.54Å | 1.49Å | |
| C38 | C51 | sing | 1.47Å | 1.39Å | Aromatic |
| C35 | N36 | sing | 1.47Å | 1.41Å | |
| C35 | C02 | sing | 1.54Å | 1.49Å | |
| N36 | C52 | sing | 1.37Å | 1.38Å | Aromatic |
| O12 | C13 | sing | 1.43Å | 1.40Å | |
| C51 | C52 | doub | 1.41Å | 1.37Å | Aromatic |
| C51 | C56 | sing | 1.40Å | 1.42Å | Aromatic |
| C52 | N53 | sing | 1.33Å | 1.36Å | Aromatic |
| N57 | C56 | sing | 1.38Å | 1.45Å | |
| C56 | N55 | doub | 1.33Å | 1.31Å | Aromatic |
| N53 | C54 | doub | 1.32Å | 1.32Å | Aromatic |
| O15 | C14 | sing | 1.43Å | 1.43Å | |
| N55 | C54 | sing | 1.32Å | 1.33Å | Aromatic |
| N28 | C27 | sing | 1.37Å | 1.45Å | |
| C03 | C02 | sing | 1.54Å | 1.46Å | |
| C03 | O04 | sing | 1.43Å | 1.42Å | |
| C02 | O01 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.55Å | 1.44Å | |
| C13 | C20 | sing | 1.54Å | 1.49Å | |
| C27 | N26 | doub | 1.31Å | 1.44Å | |
| C27 | N29 | sing | 1.36Å | 1.45Å | |
| C14 | C16 | sing | 1.54Å | 1.51Å | |
| N26 | C25 | sing | 1.34Å | 1.48Å | |
| N29 | C30 | sing | 1.35Å | 1.41Å | |
| O04 | P05 | sing | 1.61Å | 1.66Å | |
| C20 | N21 | sing | 1.46Å | 1.43Å | |
| C20 | O19 | sing | 1.43Å | 1.40Å | |
| C25 | N21 | sing | 1.37Å | 1.32Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.36Å | Aromatic |
| C30 | C24 | sing | 1.41Å | 1.51Å | |
| C30 | O31 | doub | 1.22Å | 1.19Å | |
| N21 | C22 | sing | 1.36Å | 1.35Å | Aromatic |
| C24 | N23 | sing | 1.35Å | 1.33Å | Aromatic |
| C16 | O19 | sing | 1.43Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.46Å | |
| C22 | N23 | doub | 1.30Å | 1.35Å | Aromatic |
| O18 | P05 | sing | 1.61Å | 1.66Å | |
| O18 | C17 | sing | 1.43Å | 1.40Å | |
| P05 | O06 | doub | 1.48Å | 1.50Å | |
| P05 | O07 | sing | 1.61Å | 1.49Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.08Å | 1.08Å | |
| C40 | H15 | sing | 1.08Å | 1.08Å | |
| C41 | H16 | sing | 1.08Å | 1.08Å | |
| C44 | H17 | sing | 1.08Å | 1.08Å | |
| C45 | H18 | sing | 1.08Å | 1.08Å | |
| C46 | H19 | sing | 1.08Å | 1.08Å | |
| C47 | H20 | sing | 1.08Å | 1.08Å | |
| C48 | H21 | sing | 1.08Å | 1.08Å | |
| C49 | H22 | sing | 1.08Å | 1.08Å | |
| C50 | H23 | sing | 1.08Å | 1.08Å | |
| C54 | H24 | sing | 1.08Å | 1.08Å | |
| N28 | H25 | sing | 0.97Å | 1.00Å | |
| N28 | H26 | sing | 0.97Å | 1.00Å | |
| N29 | H27 | sing | 0.97Å | 1.00Å | |
| N57 | H28 | sing | 0.97Å | 1.00Å | |
| N57 | H29 | sing | 0.97Å | 1.00Å | |
| O01 | H30 | sing | 0.97Å | 0.95Å | |
| O07 | H31 | sing | 0.97Å | 0.95Å | |
| O15 | H32 | sing | 0.97Å | 0.95Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C48 | C47 | C46 | 118.7° | 120.1° |
| C47 | C48 | C43 | 119.6° | 119.9° |
| C48 | C47 | H20 | 120.6° | 120.0° |
| C47 | C48 | H21 | 120.2° | 120.1° |
| C47 | C46 | C45 | 120.2° | 120.3° |
| C47 | C46 | H19 | 119.9° | 119.9° |
| C46 | C47 | H20 | 120.6° | 119.9° |
| O32 | P11 | O33 | 106.9° | 109.5° |
| O32 | P11 | O10 | 113.4° | 109.5° |
| O32 | P11 | O12 | 114.2° | 109.5° |
| O33 | P11 | O10 | 108.4° | 109.5° |
| O33 | P11 | O12 | 94.6° | 109.5° |
| P11 | O33 | H33 | 109.5° | 114.0° |
| C48 | C43 | C42 | 118.0° | 120.1° |
| C48 | C43 | C44 | 123.1° | 119.7° |
| C43 | C48 | H21 | 120.2° | 120.0° |
| C46 | C45 | C44 | 121.6° | 120.1° |
| C46 | C45 | H18 | 119.2° | 119.9° |
| C45 | C46 | H19 | 119.9° | 119.9° |
| O10 | P11 | O12 | 117.0° | 109.5° |
| P11 | O10 | C09 | 122.9° | 122.7° |
| P11 | O12 | C13 | 116.5° | 122.5° |
| C42 | C43 | C44 | 118.9° | 120.1° |
| C43 | C42 | C41 | 120.1° | 120.0° |
| C43 | C42 | C49 | 116.3° | 120.0° |
| C43 | C44 | C45 | 116.8° | 119.8° |
| C43 | C44 | H17 | 121.6° | 120.1° |
| C08 | O34 | C35 | 109.4° | 109.5° |
| O34 | C08 | C09 | 111.6° | 110.2° |
| O34 | C08 | C03 | 102.2° | 107.4° |
| O34 | C08 | H8 | 109.6° | 109.4° |
| O34 | C35 | N36 | 114.1° | 109.7° |
| O34 | C35 | C02 | 103.9° | 108.6° |
| O34 | C35 | H13 | 109.8° | 109.6° |
| C42 | C41 | C40 | 116.7° | 120.0° |
| C41 | C42 | C49 | 123.7° | 120.0° |
| C42 | C41 | H16 | 121.6° | 120.0° |
| C41 | C40 | C39 | 119.9° | 120.0° |
| C41 | C40 | H15 | 120.1° | 120.0° |
| C40 | C41 | H16 | 121.7° | 120.0° |
| C45 | C44 | H17 | 121.6° | 120.1° |
| C44 | C45 | H18 | 119.2° | 120.0° |
| C42 | C49 | C50 | 119.3° | 120.0° |
| C42 | C49 | H22 | 120.3° | 120.0° |
| O10 | C09 | C08 | 110.3° | 110.0° |
| O10 | C09 | H9 | 109.3° | 109.4° |
| O10 | C09 | H10 | 109.3° | 109.4° |
| C09 | C08 | C03 | 115.8° | 110.3° |
| C09 | C08 | H8 | 108.5° | 109.9° |
| C08 | C09 | H9 | 109.2° | 109.4° |
| C08 | C09 | H10 | 109.3° | 109.3° |
| C40 | C39 | C50 | 121.1° | 120.0° |
| C40 | C39 | C38 | 124.1° | 120.0° |
| C39 | C40 | H15 | 120.0° | 120.0° |
| C49 | C50 | C39 | 119.3° | 120.0° |
| C50 | C49 | H22 | 120.3° | 120.0° |
| C49 | C50 | H23 | 120.4° | 120.0° |
| C50 | C39 | C38 | 114.8° | 120.0° |
| C39 | C50 | H23 | 120.3° | 120.1° |
| C39 | C38 | C37 | 121.8° | 126.7° |
| C39 | C38 | C51 | 129.2° | 126.8° |
| C38 | C37 | N36 | 108.4° | 109.6° |
| C37 | C38 | C51 | 109.0° | 106.5° |
| C38 | C37 | H14 | 125.8° | 125.2° |
| C37 | N36 | C35 | 122.3° | 124.8° |
| C37 | N36 | C52 | 108.7° | 110.3° |
| N36 | C37 | H14 | 125.8° | 125.2° |
| C08 | C03 | C02 | 102.9° | 104.7° |
| C08 | C03 | O04 | 112.5° | 110.5° |
| C08 | C03 | H7 | 110.3° | 110.2° |
| C03 | C08 | H8 | 109.0° | 109.7° |
| C38 | C51 | C52 | 104.5° | 106.2° |
| C38 | C51 | C56 | 135.8° | 135.1° |
| N36 | C35 | C02 | 109.2° | 109.7° |
| C35 | N36 | C52 | 129.0° | 124.8° |
| N36 | C35 | H13 | 110.3° | 109.6° |
| C35 | C02 | C03 | 101.3° | 104.8° |
| C35 | C02 | O01 | 107.6° | 110.4° |
| C35 | C02 | H6 | 111.0° | 110.4° |
| C02 | C35 | H13 | 109.2° | 109.7° |
| N36 | C52 | C51 | 109.4° | 107.4° |
| N36 | C52 | N53 | 132.9° | 134.1° |
| O12 | C13 | C14 | 108.3° | 110.5° |
| O12 | C13 | C20 | 109.9° | 110.9° |
| O12 | C13 | H1 | 111.1° | 110.8° |
| C52 | C51 | C56 | 119.7° | 118.7° |
| C51 | C52 | N53 | 117.7° | 118.5° |
| C51 | C56 | N57 | 121.4° | 120.8° |
| C51 | C56 | N55 | 119.0° | 118.4° |
| C52 | N53 | C54 | 120.7° | 120.7° |
| N57 | C56 | N55 | 119.6° | 120.8° |
| C56 | N57 | H28 | 109.5° | 120.0° |
| C56 | N57 | H29 | 109.5° | 120.0° |
| C56 | N55 | C54 | 120.1° | 121.0° |
| N53 | C54 | N55 | 122.8° | 122.6° |
| N53 | C54 | H24 | 118.6° | 118.7° |
| O15 | C14 | C13 | 110.5° | 110.4° |
| O15 | C14 | C16 | 113.4° | 110.5° |
| O15 | C14 | H11 | 110.6° | 110.6° |
| C14 | O15 | H32 | 109.5° | 113.9° |
| N55 | C54 | H24 | 118.6° | 118.7° |
| N28 | C27 | N26 | 116.3° | 119.0° |
| N28 | C27 | N29 | 124.0° | 119.0° |
| C27 | N28 | H25 | 120.0° | 120.0° |
| C27 | N28 | H26 | 120.0° | 120.1° |
| C02 | C03 | O04 | 108.8° | 110.7° |
| C03 | C02 | O01 | 113.3° | 110.4° |
| C03 | C02 | H6 | 111.5° | 110.4° |
| C02 | C03 | H7 | 110.8° | 110.1° |
| C03 | O04 | P05 | 116.3° | 123.1° |
| O04 | C03 | H7 | 111.4° | 110.4° |
| O01 | C02 | H6 | 111.7° | 110.4° |
| C02 | O01 | H30 | 109.5° | 114.0° |
| C14 | C13 | C20 | 107.0° | 104.5° |
| C13 | C14 | C16 | 102.0° | 104.2° |
| C14 | C13 | H1 | 110.6° | 109.8° |
| C13 | C14 | H11 | 110.5° | 110.4° |
| C13 | C20 | N21 | 108.6° | 109.8° |
| C13 | C20 | O19 | 105.2° | 107.9° |
| C20 | C13 | H1 | 109.9° | 110.2° |
| C13 | C20 | H4 | 110.2° | 109.7° |
| N26 | C27 | N29 | 119.7° | 121.9° |
| C27 | N26 | C25 | 118.4° | 121.1° |
| C27 | N29 | C30 | 121.7° | 120.3° |
| C27 | N29 | H27 | 119.2° | 119.8° |
| C14 | C16 | O19 | 107.1° | 107.3° |
| C14 | C16 | C17 | 108.6° | 109.2° |
| C16 | C14 | H11 | 109.5° | 110.5° |
| C14 | C16 | H12 | 109.9° | 109.9° |
| N26 | C25 | N21 | 129.7° | 134.2° |
| N26 | C25 | C24 | 121.9° | 119.7° |
| N29 | C30 | C24 | 118.3° | 118.4° |
| N29 | C30 | O31 | 121.9° | 120.8° |
| C30 | N29 | H27 | 119.1° | 119.8° |
| O04 | P05 | O18 | 115.5° | 109.5° |
| O04 | P05 | O06 | 114.1° | 109.4° |
| O04 | P05 | O07 | 100.6° | 109.5° |
| N21 | C20 | O19 | 109.9° | 109.8° |
| C20 | N21 | C25 | 124.6° | 126.3° |
| C20 | N21 | C22 | 127.7° | 126.3° |
| N21 | C20 | H4 | 111.1° | 109.9° |
| C20 | O19 | C16 | 107.5° | 111.8° |
| O19 | C20 | H4 | 111.7° | 109.7° |
| N21 | C25 | C24 | 108.5° | 106.1° |
| C25 | N21 | C22 | 107.7° | 107.5° |
| C25 | C24 | C30 | 120.1° | 118.6° |
| C25 | C24 | N23 | 108.4° | 107.3° |
| C24 | C30 | O31 | 119.8° | 120.8° |
| C30 | C24 | N23 | 131.5° | 134.2° |
| N21 | C22 | N23 | 108.6° | 109.8° |
| N21 | C22 | H5 | 125.7° | 125.1° |
| C24 | N23 | C22 | 106.8° | 109.3° |
| O19 | C16 | C17 | 110.6° | 110.0° |
| O19 | C16 | H12 | 110.1° | 110.3° |
| C16 | C17 | O18 | 110.7° | 109.5° |
| C16 | C17 | H2 | 109.1° | 109.4° |
| C16 | C17 | H3 | 109.1° | 109.4° |
| C17 | C16 | H12 | 110.5° | 110.1° |
| N23 | C22 | H5 | 125.7° | 125.1° |
| P05 | O18 | C17 | 119.2° | 122.9° |
| O18 | P05 | O06 | 111.7° | 109.5° |
| O18 | P05 | O07 | 102.3° | 109.5° |
| O18 | C17 | H2 | 109.1° | 109.5° |
| O18 | C17 | H3 | 109.2° | 109.5° |
| O06 | P05 | O07 | 111.4° | 109.5° |
| P05 | O07 | H31 | 109.5° | 113.9° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.3° |
| H25 | N28 | H26 | 120.0° | 119.9° |
| H28 | N57 | H29 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C48 | C47 | C46 | H20 | 180.0° | 179.4° |
| C47 | C48 | C43 | H21 | 180.0° | 179.4° |
| C48 | C47 | C46 | C45 | 0.9° | 0.3° |
| C47 | C48 | C43 | C42 | 179.3° | 179.7° |
| C47 | C48 | C43 | C44 | 1.3° | 0.5° |
| C48 | C47 | C46 | H19 | 179.1° | 179.7° |
| C46 | C47 | C48 | C43 | 0.1° | 0.6° |
| C47 | C46 | C45 | H19 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 0.4° | 0.0° |
| C47 | C46 | C45 | H18 | 179.7° | 180.0° |
| C46 | C47 | C48 | H21 | 179.9° | 180.0° |
| O32 | P11 | O33 | O10 | 122.6° | 120.0° |
| O32 | P11 | O33 | O12 | 117.0° | 120.0° |
| O32 | P11 | O10 | O12 | 136.1° | 120.0° |
| O32 | P11 | O10 | C09 | 21.4° | 41.5° |
| O32 | P11 | O12 | C13 | 112.6° | 134.6° |
| O32 | P11 | O33 | H33 | 0.0° | 59.9° |
| O33 | P11 | O10 | O12 | 105.3° | 120.0° |
| O33 | P11 | O10 | C09 | 139.9° | 161.5° |
| O33 | P11 | O12 | C13 | 136.6° | 105.4° |
| C48 | C43 | C42 | C44 | 178.1° | 179.8° |
| C48 | C43 | C42 | C41 | 138.8° | 0.2° |
| C48 | C43 | C44 | C45 | 1.8° | 0.2° |
| C48 | C43 | C42 | C49 | 40.3° | 179.8° |
| C48 | C43 | C44 | H17 | 178.2° | 179.8° |
| C43 | C48 | C47 | H20 | 179.9° | 179.9° |
| C46 | C45 | C44 | C43 | 1.0° | 0.0° |
| C46 | C45 | C44 | H18 | 180.0° | 180.0° |
| C46 | C45 | C44 | H17 | 179.0° | 180.0° |
| C45 | C46 | C47 | H20 | 179.1° | 179.7° |
| P11 | O10 | C09 | C08 | 172.1° | 179.2° |
| O10 | P11 | O12 | C13 | 23.2° | 14.6° |
| P11 | O10 | C09 | H9 | 52.1° | 60.6° |
| P11 | O10 | C09 | H10 | 67.7° | 59.1° |
| O10 | P11 | O33 | H33 | 122.6° | 60.0° |
| O12 | P11 | O10 | C09 | 114.7° | 78.5° |
| P11 | O12 | C13 | C14 | 72.9° | 98.5° |
| P11 | O12 | C13 | C20 | 170.6° | 146.1° |
| P11 | O12 | C13 | H1 | 48.8° | 23.4° |
| O12 | P11 | O33 | H33 | 117.0° | 180.0° |
| C43 | C42 | C41 | C49 | 179.1° | 180.0° |
| C43 | C42 | C41 | C40 | 178.5° | 180.0° |
| C42 | C43 | C44 | C45 | 179.8° | 180.0° |
| C43 | C42 | C49 | C50 | 179.1° | 180.0° |
| C43 | C42 | C41 | H16 | 1.5° | 0.1° |
| C42 | C43 | C44 | H17 | 0.2° | 0.0° |
| C42 | C43 | C48 | H21 | 0.7° | 0.2° |
| C43 | C42 | C49 | H22 | 0.9° | 0.0° |
| C44 | C43 | C42 | C41 | 39.2° | 180.0° |
| C43 | C44 | C45 | H17 | 180.0° | 180.0° |
| C44 | C43 | C42 | C49 | 141.6° | 0.0° |
| C43 | C44 | C45 | H18 | 179.0° | 180.0° |
| C44 | C43 | C48 | H21 | 178.7° | 180.0° |
| O34 | C08 | C09 | O10 | 63.9° | 64.0° |
| O34 | C08 | C09 | C03 | 116.3° | 118.4° |
| O34 | C08 | C09 | H8 | 120.8° | 120.6° |
| O34 | C08 | C03 | H8 | 115.9° | 118.8° |
| C08 | O34 | C35 | N36 | 106.7° | 137.5° |
| C08 | O34 | C35 | C02 | 12.1° | 17.7° |
| O34 | C08 | C03 | C02 | 37.7° | 19.4° |
| O34 | C08 | C03 | O04 | 154.6° | 138.7° |
| O34 | C08 | C03 | H7 | 80.5° | 99.0° |
| O34 | C08 | C09 | H9 | 176.0° | 56.2° |
| O34 | C08 | C09 | H10 | 56.2° | 175.8° |
| C08 | O34 | C35 | H13 | 128.8° | 102.2° |
| C35 | O34 | C08 | C09 | 139.8° | 143.5° |
| O34 | C35 | N36 | C37 | 23.6° | 24.2° |
| C35 | O34 | C08 | C03 | 15.4° | 23.3° |
| O34 | C35 | N36 | C02 | 115.8° | 119.2° |
| O34 | C35 | N36 | H13 | 124.2° | 120.3° |
| O34 | C35 | C02 | H13 | 117.1° | 119.7° |
| O34 | C35 | N36 | C52 | 155.7° | 155.8° |
| O34 | C35 | C02 | C03 | 35.2° | 4.8° |
| O34 | C35 | C02 | O01 | 83.9° | 123.6° |
| O34 | C35 | C02 | H6 | 153.6° | 114.1° |
| C35 | O34 | C08 | H8 | 100.0° | 95.6° |
| C42 | C41 | C40 | H16 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 0.1° | 0.1° |
| C41 | C42 | C49 | C50 | 0.0° | 0.0° |
| C42 | C41 | C40 | H15 | 179.9° | 179.9° |
| C41 | C42 | C49 | H22 | 180.0° | 180.0° |
| C40 | C41 | C42 | C49 | 0.6° | 0.0° |
| C41 | C40 | C39 | H15 | 180.0° | 179.9° |
| C41 | C40 | C39 | C50 | 0.8° | 0.1° |
| C41 | C40 | C39 | C38 | 180.0° | 179.8° |
| C44 | C45 | C46 | H19 | 179.7° | 180.0° |
| C42 | C49 | C50 | H22 | 180.0° | 180.0° |
| C42 | C49 | C50 | C39 | 1.0° | 0.1° |
| C49 | C42 | C41 | H16 | 179.4° | 180.0° |
| C42 | C49 | C50 | H23 | 179.0° | 179.7° |
| O10 | C09 | C08 | H9 | 120.1° | 120.2° |
| O10 | C09 | C08 | H10 | 120.1° | 120.2° |
| O10 | C09 | C08 | C03 | 52.4° | 54.4° |
| O10 | C09 | C08 | H8 | 175.3° | 175.4° |
| O10 | C09 | H9 | H10 | 119.6° | 119.8° |
| C09 | C08 | C03 | H8 | 122.6° | 121.1° |
| C09 | C08 | C03 | C02 | 159.2° | 139.5° |
| C09 | C08 | C03 | O04 | 84.0° | 101.2° |
| C09 | C08 | C03 | H7 | 41.0° | 21.1° |
| C08 | C09 | H9 | H10 | 119.6° | 119.7° |
| C40 | C39 | C50 | C49 | 1.4° | 0.1° |
| C40 | C39 | C50 | C38 | 179.2° | 179.6° |
| C40 | C39 | C38 | C37 | 157.7° | 130.3° |
| C40 | C39 | C38 | C51 | 21.4° | 49.7° |
| C39 | C40 | C41 | H16 | 179.9° | 180.0° |
| C40 | C39 | C50 | H23 | 178.6° | 179.7° |
| C49 | C50 | C39 | H23 | 180.0° | 179.8° |
| C49 | C50 | C39 | C38 | 179.4° | 179.8° |
| C50 | C39 | C38 | C37 | 23.1° | 50.0° |
| C50 | C39 | C38 | C51 | 157.8° | 129.9° |
| C50 | C39 | C40 | H15 | 179.2° | 180.0° |
| C39 | C50 | C49 | H22 | 179.0° | 179.9° |
| C39 | C38 | C37 | C51 | 179.3° | 180.0° |
| C39 | C38 | C37 | N36 | 179.6° | 180.0° |
| C39 | C38 | C51 | C52 | 179.9° | 179.9° |
| C39 | C38 | C51 | C56 | 0.1° | 0.0° |
| C39 | C38 | C37 | H14 | 0.4° | 0.3° |
| C38 | C39 | C40 | H15 | 0.0° | 0.4° |
| C38 | C39 | C50 | H23 | 0.6° | 0.1° |
| C38 | C37 | N36 | H14 | 180.0° | 179.7° |
| C38 | C37 | N36 | C35 | 179.5° | 180.0° |
| C38 | C37 | N36 | C52 | 1.1° | 0.0° |
| C37 | C38 | C51 | C52 | 0.7° | 0.0° |
| C37 | C38 | C51 | C56 | 179.2° | 180.0° |
| N36 | C37 | C38 | C51 | 1.1° | 0.0° |
| C37 | N36 | C35 | C52 | 179.3° | 180.0° |
| C37 | N36 | C35 | C02 | 92.2° | 95.0° |
| C37 | N36 | C52 | C51 | 0.6° | 0.0° |
| C37 | N36 | C52 | N53 | 178.9° | 180.0° |
| C37 | N36 | C35 | H13 | 147.8° | 144.5° |
| C08 | C03 | C02 | C35 | 45.2° | 8.7° |
| C08 | C03 | C02 | O04 | 119.5° | 119.2° |
| C08 | C03 | C02 | H7 | 117.8° | 118.5° |
| C08 | C03 | O04 | H7 | 124.4° | 122.2° |
| C08 | C03 | C02 | O01 | 69.8° | 110.1° |
| C08 | C03 | O04 | P05 | 152.2° | 73.9° |
| C08 | C03 | C02 | H6 | 163.2° | 127.5° |
| C03 | C08 | C09 | H9 | 67.7° | 174.6° |
| C03 | C08 | C09 | H10 | 172.6° | 65.8° |
| C38 | C51 | C52 | N36 | 0.1° | 0.0° |
| C38 | C51 | C52 | C56 | 179.9° | 180.0° |
| C38 | C51 | C52 | N53 | 179.7° | 180.0° |
| C38 | C51 | C56 | N57 | 0.6° | 0.1° |
| C38 | C51 | C56 | N55 | 179.7° | 180.0° |
| C51 | C38 | C37 | H14 | 178.8° | 179.7° |
| N36 | C35 | C02 | H13 | 120.7° | 120.4° |
| C35 | N36 | C52 | C51 | 180.0° | 180.0° |
| C35 | N36 | C52 | N53 | 0.5° | 0.0° |
| N36 | C35 | C02 | C03 | 86.9° | 124.6° |
| N36 | C35 | C02 | O01 | 153.9° | 116.6° |
| N36 | C35 | C02 | H6 | 31.5° | 5.7° |
| C35 | N36 | C37 | H14 | 0.6° | 0.3° |
| C02 | C35 | N36 | C52 | 88.5° | 85.0° |
| C35 | C02 | C03 | O01 | 115.0° | 118.8° |
| C35 | C02 | C03 | H6 | 118.1° | 118.9° |
| C35 | C02 | C03 | O04 | 164.6° | 127.8° |
| C35 | C02 | O01 | H6 | 122.0° | 122.3° |
| C35 | C02 | C03 | H7 | 72.7° | 109.8° |
| C35 | C02 | O01 | H30 | 180.0° | 63.1° |
| N36 | C52 | C51 | N53 | 179.6° | 180.0° |
| N36 | C52 | C51 | C56 | 179.8° | 180.0° |
| N36 | C52 | N53 | C54 | 179.8° | 180.0° |
| C52 | N36 | C35 | H13 | 31.5° | 35.5° |
| C52 | N36 | C37 | H14 | 178.9° | 179.7° |
| O12 | C13 | C14 | O15 | 29.3° | 20.4° |
| O12 | C13 | C14 | C20 | 118.4° | 119.4° |
| O12 | C13 | C14 | H1 | 122.0° | 122.5° |
| O12 | C13 | C20 | H1 | 122.5° | 123.0° |
| O12 | C13 | C14 | C16 | 150.2° | 139.0° |
| O12 | C13 | C20 | N21 | 91.3° | 107.7° |
| O12 | C13 | C20 | O19 | 151.1° | 132.6° |
| O12 | C13 | C20 | H4 | 30.6° | 13.1° |
| O12 | C13 | C14 | H11 | 93.5° | 102.3° |
| C52 | C51 | C56 | N57 | 179.5° | 179.9° |
| C52 | C51 | C56 | N55 | 0.5° | 0.0° |
| C51 | C52 | N53 | C54 | 0.6° | 0.1° |
| C56 | C51 | C52 | N53 | 0.2° | 0.0° |
| C51 | C56 | N57 | N55 | 179.1° | 180.0° |
| C51 | C56 | N55 | C54 | 0.7° | 0.1° |
| C51 | C56 | N57 | H28 | 179.1° | 0.0° |
| C51 | C56 | N57 | H29 | 60.9° | 180.0° |
| C52 | N53 | C54 | N55 | 0.4° | 0.1° |
| C52 | N53 | C54 | H24 | 179.5° | 180.0° |
| N57 | C56 | N55 | C54 | 179.8° | 179.9° |
| C56 | N57 | H28 | H29 | 120.0° | 180.0° |
| C56 | N55 | C54 | N53 | 0.2° | 0.2° |
| C56 | N55 | C54 | H24 | 179.8° | 180.0° |
| N55 | C56 | N57 | H28 | 0.0° | 180.0° |
| N55 | C56 | N57 | H29 | 120.0° | 0.0° |
| N53 | C54 | N55 | H24 | 180.0° | 179.9° |
| O15 | C14 | C13 | C16 | 120.9° | 118.6° |
| O15 | C14 | C13 | H11 | 122.7° | 122.7° |
| O15 | C14 | C13 | C20 | 89.1° | 99.0° |
| O15 | C14 | C16 | H11 | 124.1° | 122.8° |
| O15 | C14 | C16 | O19 | 99.4° | 99.0° |
| O15 | C14 | C16 | C17 | 141.1° | 141.8° |
| O15 | C14 | C13 | H1 | 151.2° | 142.9° |
| O15 | C14 | C16 | H12 | 20.2° | 20.9° |
| N28 | C27 | N26 | N29 | 179.7° | 179.3° |
| N28 | C27 | N26 | C25 | 180.0° | 180.0° |
| N28 | C27 | N29 | C30 | 179.9° | 179.7° |
| C27 | N28 | H25 | H26 | 180.0° | 179.9° |
| N28 | C27 | N29 | H27 | 0.1° | 0.7° |
| C02 | C03 | O04 | H7 | 122.3° | 122.2° |
| C03 | C02 | O01 | H6 | 126.9° | 122.3° |
| C02 | C03 | O04 | P05 | 94.6° | 170.5° |
| C02 | C03 | C08 | H8 | 78.2° | 99.4° |
| C03 | C02 | C35 | H13 | 152.4° | 115.0° |
| C03 | C02 | O01 | H30 | 68.8° | 178.4° |
| O04 | C03 | C02 | O01 | 49.7° | 9.0° |
| C03 | O04 | P05 | O18 | 74.6° | 69.6° |
| C03 | O04 | P05 | O06 | 56.8° | 170.4° |
| C03 | O04 | P05 | O07 | 176.1° | 50.4° |
| O04 | C03 | C02 | H6 | 77.3° | 113.3° |
| O04 | C03 | C08 | H8 | 38.7° | 19.9° |
| O01 | C02 | C03 | H7 | 172.4° | 131.4° |
| O01 | C02 | C35 | H13 | 33.2° | 3.8° |
| C14 | C13 | C20 | H1 | 120.1° | 117.9° |
| C13 | C14 | C16 | H11 | 117.1° | 118.6° |
| C14 | C13 | C20 | N21 | 151.4° | 133.2° |
| C14 | C13 | C20 | O19 | 33.7° | 13.5° |
| C13 | C14 | C16 | O19 | 19.4° | 19.6° |
| C13 | C14 | C16 | C17 | 100.1° | 99.6° |
| C14 | C13 | C20 | H4 | 86.8° | 106.0° |
| C13 | C14 | C16 | H12 | 139.0° | 139.5° |
| C13 | C14 | O15 | H32 | 180.0° | 180.0° |
| C20 | C13 | C14 | C16 | 31.8° | 19.7° |
| C13 | C20 | N21 | O19 | 114.6° | 118.5° |
| C13 | C20 | N21 | H4 | 121.3° | 120.7° |
| C13 | C20 | O19 | H4 | 119.5° | 119.5° |
| C13 | C20 | N21 | C25 | 118.9° | 85.1° |
| C13 | C20 | N21 | C22 | 59.6° | 95.0° |
| C13 | C20 | O19 | C16 | 20.0° | 1.3° |
| C20 | C13 | C14 | H11 | 148.2° | 138.3° |
| N26 | C27 | N29 | C30 | 0.2° | 1.0° |
| C27 | N26 | C25 | N21 | 180.0° | 180.0° |
| C27 | N26 | C25 | C24 | 0.3° | 0.3° |
| N26 | C27 | N28 | H25 | 0.0° | 0.1° |
| N26 | C27 | N28 | H26 | 180.0° | 180.0° |
| N26 | C27 | N29 | H27 | 179.8° | 180.0° |
| N29 | C27 | N26 | C25 | 0.2° | 0.7° |
| C27 | N29 | C30 | H27 | 180.0° | 179.0° |
| C27 | N29 | C30 | C24 | 0.1° | 0.9° |
| C27 | N29 | C30 | O31 | 179.9° | 179.1° |
| N29 | C27 | N28 | H25 | 179.7° | 179.4° |
| N29 | C27 | N28 | H26 | 0.3° | 0.7° |
| C14 | C16 | O19 | C20 | 0.7° | 11.8° |
| C14 | C16 | O19 | C17 | 118.1° | 118.6° |
| C14 | C16 | O19 | H12 | 119.5° | 119.7° |
| C14 | C16 | C17 | H12 | 120.6° | 120.8° |
| C14 | C16 | C17 | O18 | 63.4° | 18.4° |
| C16 | C14 | C13 | H1 | 87.9° | 98.5° |
| C14 | C16 | C17 | H2 | 176.4° | 138.4° |
| C14 | C16 | C17 | H3 | 56.7° | 101.6° |
| C16 | C14 | O15 | H32 | 66.2° | 65.3° |
| N26 | C25 | N21 | C20 | 1.3° | 0.1° |
| N26 | C25 | N21 | C24 | 179.8° | 179.7° |
| N26 | C25 | C24 | C30 | 0.3° | 0.2° |
| N26 | C25 | N21 | C22 | 179.9° | 180.0° |
| N26 | C25 | C24 | N23 | 179.8° | 179.9° |
| N29 | C30 | C24 | C25 | 0.2° | 0.5° |
| N29 | C30 | C24 | O31 | 180.0° | 180.0° |
| N29 | C30 | C24 | N23 | 179.9° | 180.0° |
| O04 | P05 | O18 | O06 | 132.6° | 120.0° |
| O04 | P05 | O18 | O07 | 108.2° | 120.0° |
| O04 | P05 | O18 | C17 | 83.3° | 176.5° |
| O04 | P05 | O06 | O07 | 113.0° | 120.0° |
| P05 | O04 | C03 | H7 | 27.8° | 48.3° |
| O04 | P05 | O07 | H31 | 121.3° | 65.5° |
| N21 | C20 | O19 | H4 | 123.7° | 120.8° |
| C20 | N21 | C25 | C22 | 178.8° | 180.0° |
| C20 | N21 | C25 | C24 | 178.9° | 179.8° |
| N21 | C20 | O19 | C16 | 136.8° | 120.9° |
| C20 | N21 | C22 | N23 | 178.9° | 180.0° |
| N21 | C20 | C13 | H1 | 31.2° | 15.3° |
| C20 | N21 | C22 | H5 | 1.0° | 0.3° |
| O19 | C20 | N21 | C25 | 126.4° | 156.4° |
| O19 | C20 | N21 | C22 | 55.0° | 23.5° |
| C20 | O19 | C16 | C17 | 118.9° | 106.9° |
| O19 | C20 | C13 | H1 | 86.4° | 104.3° |
| C20 | O19 | C16 | H12 | 118.7° | 131.5° |
| N21 | C25 | C24 | C30 | 179.9° | 180.0° |
| N21 | C25 | C24 | N23 | 0.0° | 0.4° |
| C25 | N21 | C22 | N23 | 0.2° | 0.0° |
| C25 | N21 | C20 | H4 | 2.4° | 35.7° |
| C25 | N21 | C22 | H5 | 179.8° | 179.7° |
| C25 | C24 | C30 | N23 | 179.9° | 179.5° |
| C25 | C24 | C30 | O31 | 179.8° | 179.5° |
| C24 | C25 | N21 | C22 | 0.1° | 0.3° |
| C25 | C24 | N23 | C22 | 0.1° | 0.4° |
| C30 | C24 | N23 | C22 | 179.8° | 179.9° |
| C24 | C30 | N29 | H27 | 179.9° | 179.9° |
| O31 | C30 | C24 | N23 | 0.0° | 0.0° |
| O31 | C30 | N29 | H27 | 0.1° | 0.1° |
| N21 | C22 | N23 | C24 | 0.2° | 0.2° |
| N21 | C22 | N23 | H5 | 180.0° | 179.7° |
| C22 | N21 | C20 | H4 | 179.1° | 144.3° |
| C24 | N23 | C22 | H5 | 179.8° | 179.9° |
| O19 | C16 | C17 | H12 | 122.2° | 121.7° |
| O19 | C16 | C17 | O18 | 53.8° | 99.1° |
| O19 | C16 | C17 | H2 | 66.4° | 20.9° |
| O19 | C16 | C17 | H3 | 174.0° | 140.9° |
| C16 | O19 | C20 | H4 | 99.5° | 118.3° |
| O19 | C16 | C14 | H11 | 136.5° | 138.2° |
| C16 | C17 | O18 | P05 | 152.5° | 94.4° |
| C16 | C17 | O18 | H2 | 120.2° | 120.0° |
| C16 | C17 | O18 | H3 | 120.2° | 120.0° |
| C16 | C17 | H2 | H3 | 119.4° | 120.0° |
| C17 | C16 | C14 | H11 | 17.0° | 19.0° |
| O18 | P05 | O06 | O07 | 113.7° | 120.0° |
| P05 | O18 | C17 | H2 | 87.3° | 145.7° |
| P05 | O18 | C17 | H3 | 32.4° | 25.6° |
| O18 | P05 | O07 | H31 | 119.4° | 174.5° |
| C17 | O18 | P05 | O06 | 144.1° | 56.5° |
| C17 | O18 | P05 | O07 | 24.9° | 63.5° |
| O18 | C17 | H2 | H3 | 119.4° | 120.0° |
| O18 | C17 | C16 | H12 | 176.0° | 139.2° |
| O06 | P05 | O07 | H31 | 0.0° | 54.4° |
| H1 | C13 | C20 | H4 | 153.1° | 136.1° |
| H1 | C13 | C14 | H11 | 28.5° | 20.2° |
| H2 | C17 | C16 | H12 | 55.8° | 100.8° |
| H3 | C17 | C16 | H12 | 63.8° | 19.2° |
| H6 | C02 | C03 | H7 | 45.4° | 9.1° |
| H6 | C02 | C35 | H13 | 89.2° | 126.1° |
| H6 | C02 | O01 | H30 | 58.0° | 59.3° |
| H7 | C03 | C08 | H8 | 163.6° | 142.2° |
| H8 | C08 | C09 | H9 | 55.2° | 64.4° |
| H8 | C08 | C09 | H10 | 64.6° | 55.2° |
| H11 | C14 | C16 | H12 | 104.0° | 101.9° |
| H11 | C14 | O15 | H32 | 57.3° | 57.4° |
| H15 | C40 | C41 | H16 | 0.1° | 0.1° |
| H17 | C44 | C45 | H18 | 1.0° | 0.0° |
| H18 | C45 | C46 | H19 | 0.3° | 0.0° |
| H19 | C46 | C47 | H20 | 0.9° | 0.3° |
| H20 | C47 | C48 | H21 | 0.1° | 0.6° |
| H22 | C49 | C50 | H23 | 0.9° | 0.2° |
