Q0U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.45Å | |
| C14 | O13 | sing | 1.43Å | 1.45Å | |
| C15 | C30 | sing | 1.55Å | 1.33Å | |
| C17 | C28 | sing | 1.55Å | 1.62Å | |
| C17 | N18 | sing | 1.46Å | 1.44Å | |
| C17 | O16 | sing | 1.44Å | 1.31Å | |
| C19 | N18 | sing | 1.36Å | 1.36Å | Aromatic |
| C19 | N20 | doub | 1.30Å | 1.34Å | Aromatic |
| C02 | C03 | sing | 1.55Å | 1.28Å | |
| C02 | C35 | sing | 1.55Å | 1.65Å | |
| C02 | O01 | sing | 1.43Å | 1.47Å | |
| C03 | C05 | sing | 1.54Å | 1.58Å | |
| C03 | O04 | sing | 1.43Å | 1.50Å | |
| C05 | C06 | sing | 1.53Å | 1.39Å | |
| C05 | O34 | sing | 1.44Å | 1.53Å | |
| C06 | O07 | sing | 1.43Å | 1.39Å | |
| C21 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C26 | sing | 1.41Å | 1.43Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.37Å | Aromatic |
| C22 | N18 | sing | 1.37Å | 1.34Å | Aromatic |
| C22 | N23 | sing | 1.33Å | 1.37Å | Aromatic |
| C24 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | N25 | sing | 1.32Å | 1.32Å | Aromatic |
| C26 | N25 | doub | 1.33Å | 1.36Å | Aromatic |
| C26 | N27 | sing | 1.38Å | 1.48Å | |
| C28 | C30 | sing | 1.55Å | 1.57Å | |
| C28 | O29 | sing | 1.43Å | 1.30Å | |
| C30 | O31 | sing | 1.43Å | 1.45Å | |
| C35 | N36 | sing | 1.47Å | 1.43Å | |
| C35 | O34 | sing | 1.44Å | 1.30Å | |
| C37 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | N36 | sing | 1.32Å | 1.34Å | Aromatic |
| C38 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.42Å | Aromatic |
| C39 | N36 | doub | 1.32Å | 1.33Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C42 | N43 | sing | 1.46Å | 1.53Å | |
| C44 | N43 | sing | 1.35Å | 1.49Å | |
| C44 | N45 | sing | 1.35Å | 1.44Å | |
| C44 | O51 | doub | 1.22Å | 1.21Å | |
| C46 | C47 | sing | 1.53Å | 1.56Å | |
| C46 | N45 | sing | 1.46Å | 1.47Å | |
| C47 | F48 | sing | 1.40Å | 1.37Å | |
| C47 | F49 | sing | 1.40Å | 1.37Å | |
| C47 | F50 | sing | 1.40Å | 1.37Å | |
| C52 | N43 | sing | 1.46Å | 1.46Å | |
| O07 | P08 | sing | 1.61Å | 1.63Å | |
| O09 | P08 | doub | 1.48Å | 1.51Å | |
| O10 | P08 | sing | 1.61Å | 1.64Å | |
| O10 | P11 | sing | 1.61Å | 1.63Å | |
| O12 | P11 | doub | 1.48Å | 1.53Å | |
| O13 | P11 | sing | 1.61Å | 1.65Å | |
| O32 | P11 | sing | 1.61Å | 1.46Å | |
| O33 | P08 | sing | 1.61Å | 1.50Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| C38 | H17 | sing | 1.08Å | 1.08Å | |
| C39 | H18 | sing | 1.08Å | 1.08Å | |
| C40 | H19 | sing | 1.08Å | 1.08Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C52 | H24 | sing | 1.09Å | 1.10Å | |
| C52 | H25 | sing | 1.09Å | 1.10Å | |
| C52 | H26 | sing | 1.09Å | 1.10Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| N27 | H28 | sing | 0.97Å | 1.00Å | |
| N45 | H29 | sing | 0.97Å | 1.00Å | |
| O01 | H30 | sing | 0.97Å | 0.95Å | |
| O04 | H31 | sing | 0.97Å | 0.95Å | |
| O29 | H33 | sing | 0.97Å | 0.95Å | |
| O31 | H34 | sing | 0.97Å | 0.95Å | |
| O32 | H35 | sing | 0.97Å | 0.95Å | |
| O33 | H36 | sing | 0.97Å | 0.95Å | |
| C15 | O16 | sing | 1.44Å | 1.69Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | O13 | 104.4° | 109.5° |
| C14 | C15 | C30 | 108.6° | 110.4° |
| C15 | C14 | H1 | 110.7° | 109.5° |
| C15 | C14 | H2 | 110.7° | 109.5° |
| C14 | C15 | H3 | 110.5° | 110.3° |
| C14 | C15 | O16 | 107.1° | 110.4° |
| C14 | O13 | P11 | 114.1° | 123.0° |
| O13 | C14 | H1 | 110.7° | 109.5° |
| O13 | C14 | H2 | 110.8° | 109.5° |
| C15 | C30 | C28 | 106.4° | 104.1° |
| C15 | C30 | O31 | 110.0° | 110.5° |
| C30 | C15 | H3 | 112.4° | 110.3° |
| C15 | C30 | H14 | 111.9° | 110.4° |
| C30 | C15 | O16 | 110.5° | 104.8° |
| C28 | C17 | N18 | 110.6° | 110.4° |
| C28 | C17 | O16 | 108.0° | 104.8° |
| C17 | C28 | C30 | 106.5° | 104.1° |
| C17 | C28 | O29 | 110.2° | 110.5° |
| C28 | C17 | H5 | 106.2° | 110.4° |
| C17 | C28 | H13 | 108.7° | 110.4° |
| N18 | C17 | O16 | 113.3° | 110.4° |
| C17 | N18 | C19 | 127.9° | 126.3° |
| C17 | N18 | C22 | 124.2° | 126.3° |
| N18 | C17 | H5 | 108.3° | 110.4° |
| O16 | C17 | H5 | 110.2° | 110.4° |
| C17 | O16 | C15 | 107.7° | 105.3° |
| N18 | C19 | N20 | 109.2° | 109.9° |
| C19 | N18 | C22 | 107.8° | 107.5° |
| N18 | C19 | H6 | 125.4° | 125.0° |
| C19 | N20 | C21 | 107.7° | 109.4° |
| N20 | C19 | H6 | 125.4° | 125.0° |
| C03 | C02 | C35 | 107.8° | 102.1° |
| C03 | C02 | O01 | 116.2° | 111.0° |
| C02 | C03 | C05 | 105.6° | 104.2° |
| C02 | C03 | O04 | 114.1° | 110.5° |
| C03 | C02 | H7 | 111.5° | 110.9° |
| C02 | C03 | H8 | 112.9° | 110.5° |
| C35 | C02 | O01 | 105.8° | 110.9° |
| C02 | C35 | N36 | 110.8° | 110.6° |
| C02 | C35 | O34 | 109.0° | 103.5° |
| C35 | C02 | H7 | 106.5° | 110.9° |
| C02 | C35 | H15 | 106.6° | 110.6° |
| O01 | C02 | H7 | 108.5° | 110.8° |
| C02 | O01 | H30 | 109.5° | 114.0° |
| C05 | C03 | O04 | 106.2° | 110.5° |
| C03 | C05 | C06 | 113.3° | 109.9° |
| C03 | C05 | O34 | 105.0° | 107.3° |
| C05 | C03 | H8 | 108.4° | 110.5° |
| C03 | C05 | H9 | 108.1° | 109.9° |
| O04 | C03 | H8 | 109.3° | 110.5° |
| C03 | O04 | H31 | 109.5° | 114.0° |
| C06 | C05 | O34 | 110.8° | 109.9° |
| C05 | C06 | O07 | 104.4° | 109.4° |
| C06 | C05 | H9 | 110.6° | 109.8° |
| C05 | C06 | H10 | 110.7° | 109.5° |
| C05 | C06 | H11 | 110.7° | 109.4° |
| C05 | O34 | C35 | 105.9° | 107.0° |
| O34 | C05 | H9 | 108.8° | 110.0° |
| C06 | O07 | P08 | 120.8° | 122.9° |
| O07 | C06 | H10 | 110.7° | 109.5° |
| O07 | C06 | H11 | 110.8° | 109.5° |
| C22 | C21 | C26 | 117.1° | 118.2° |
| C22 | C21 | N20 | 107.3° | 107.2° |
| C21 | C22 | N18 | 108.0° | 106.0° |
| C21 | C22 | N23 | 121.0° | 119.1° |
| C26 | C21 | N20 | 135.6° | 134.6° |
| C21 | C26 | N25 | 119.3° | 118.4° |
| C21 | C26 | N27 | 120.9° | 120.8° |
| N18 | C22 | N23 | 131.1° | 134.9° |
| C22 | N23 | C24 | 119.4° | 120.7° |
| N23 | C24 | N25 | 122.2° | 122.4° |
| N23 | C24 | H12 | 118.9° | 118.8° |
| C24 | N25 | C26 | 121.1° | 121.2° |
| N25 | C24 | H12 | 118.9° | 118.7° |
| N25 | C26 | N27 | 119.8° | 120.8° |
| C26 | N27 | H27 | 109.5° | 120.0° |
| C26 | N27 | H28 | 109.5° | 119.9° |
| C30 | C28 | O29 | 108.2° | 110.5° |
| C28 | C30 | O31 | 110.0° | 110.5° |
| C30 | C28 | H13 | 109.4° | 110.5° |
| C28 | C30 | H14 | 108.5° | 110.5° |
| O29 | C28 | H13 | 113.5° | 110.6° |
| C28 | O29 | H33 | 109.5° | 114.0° |
| O31 | C30 | H14 | 109.9° | 110.6° |
| C30 | O31 | H34 | 109.5° | 114.0° |
| N36 | C35 | O34 | 110.1° | 110.6° |
| C35 | N36 | C37 | 119.6° | 119.1° |
| C35 | N36 | C39 | 118.5° | 119.2° |
| N36 | C35 | H15 | 109.2° | 110.6° |
| O34 | C35 | H15 | 111.1° | 110.8° |
| C38 | C37 | N36 | 120.8° | 120.7° |
| C37 | C38 | C41 | 118.5° | 119.2° |
| C38 | C37 | H16 | 119.6° | 119.6° |
| C37 | C38 | H17 | 120.7° | 120.4° |
| C37 | N36 | C39 | 121.9° | 121.7° |
| N36 | C37 | H16 | 119.6° | 119.7° |
| C38 | C41 | C40 | 119.2° | 118.4° |
| C38 | C41 | C42 | 120.9° | 120.8° |
| C41 | C38 | H17 | 120.7° | 120.4° |
| C40 | C39 | N36 | 120.7° | 120.8° |
| C39 | C40 | C41 | 119.0° | 119.2° |
| C40 | C39 | H18 | 119.7° | 119.6° |
| C39 | C40 | H19 | 120.5° | 120.4° |
| N36 | C39 | H18 | 119.6° | 119.6° |
| C40 | C41 | C42 | 119.9° | 120.8° |
| C41 | C40 | H19 | 120.5° | 120.4° |
| C41 | C42 | N43 | 107.6° | 109.5° |
| C41 | C42 | H20 | 109.9° | 109.5° |
| C41 | C42 | H21 | 109.9° | 109.5° |
| C42 | N43 | C44 | 118.2° | 120.0° |
| C42 | N43 | C52 | 120.3° | 120.0° |
| N43 | C42 | H20 | 109.9° | 109.5° |
| N43 | C42 | H21 | 109.9° | 109.4° |
| N43 | C44 | N45 | 119.5° | 120.0° |
| N43 | C44 | O51 | 119.7° | 120.0° |
| C44 | N43 | C52 | 121.5° | 120.0° |
| N45 | C44 | O51 | 120.8° | 120.0° |
| C44 | N45 | C46 | 117.9° | 120.0° |
| C44 | N45 | H29 | 121.0° | 120.0° |
| C47 | C46 | N45 | 108.4° | 109.5° |
| C46 | C47 | F48 | 109.1° | 109.5° |
| C46 | C47 | F49 | 109.4° | 109.5° |
| C46 | C47 | F50 | 110.3° | 109.5° |
| C47 | C46 | H22 | 109.7° | 109.5° |
| C47 | C46 | H23 | 109.8° | 109.4° |
| N45 | C46 | H22 | 109.7° | 109.5° |
| N45 | C46 | H23 | 109.7° | 109.5° |
| C46 | N45 | H29 | 121.0° | 120.0° |
| F48 | C47 | F49 | 111.2° | 109.5° |
| F48 | C47 | F50 | 107.6° | 109.5° |
| F49 | C47 | F50 | 109.1° | 109.4° |
| N43 | C52 | H24 | 109.5° | 109.5° |
| N43 | C52 | H25 | 109.5° | 109.4° |
| N43 | C52 | H26 | 109.5° | 109.5° |
| O07 | P08 | O09 | 108.8° | 109.5° |
| O07 | P08 | O10 | 104.6° | 109.5° |
| O07 | P08 | O33 | 110.0° | 109.5° |
| O09 | P08 | O10 | 112.7° | 109.5° |
| O09 | P08 | O33 | 113.3° | 109.5° |
| P08 | O10 | P11 | 122.3° | 134.0° |
| O10 | P08 | O33 | 107.1° | 109.4° |
| O10 | P11 | O12 | 107.2° | 109.5° |
| O10 | P11 | O13 | 108.4° | 109.5° |
| O10 | P11 | O32 | 109.4° | 109.5° |
| O12 | P11 | O13 | 111.6° | 109.5° |
| O12 | P11 | O32 | 111.1° | 109.4° |
| O13 | P11 | O32 | 109.1° | 109.5° |
| P11 | O32 | H35 | 109.5° | 114.0° |
| P08 | O33 | H36 | 109.5° | 114.0° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H3 | C15 | O16 | 107.5° | 110.4° |
| H10 | C06 | H11 | 109.4° | 109.5° |
| H20 | C42 | H21 | 109.5° | 109.5° |
| H22 | C46 | H23 | 109.5° | 109.5° |
| H24 | C52 | H25 | 109.5° | 109.5° |
| H24 | C52 | H26 | 109.4° | 109.5° |
| H25 | C52 | H26 | 109.5° | 109.5° |
| H27 | N27 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | O13 | H1 | 119.2° | 120.0° |
| C15 | C14 | O13 | H2 | 119.2° | 120.0° |
| C14 | C15 | C30 | H3 | 122.6° | 122.2° |
| C14 | C15 | C30 | O16 | 117.3° | 118.9° |
| C14 | C15 | O16 | C17 | 115.4° | 159.4° |
| C14 | C15 | C30 | C28 | 110.0° | 142.8° |
| C14 | C15 | C30 | O31 | 130.8° | 98.5° |
| C15 | C14 | O13 | P11 | 120.1° | 180.0° |
| C15 | C14 | H1 | H2 | 122.3° | 120.0° |
| C14 | C15 | H3 | O16 | 116.6° | 122.3° |
| C14 | C15 | C30 | H14 | 8.3° | 24.2° |
| O13 | C14 | C15 | C30 | 170.8° | 175.0° |
| C14 | O13 | P11 | O10 | 155.4° | 175.0° |
| C14 | O13 | P11 | O12 | 37.6° | 55.0° |
| C14 | O13 | P11 | O32 | 85.5° | 65.0° |
| O13 | C14 | H1 | H2 | 122.4° | 120.0° |
| O13 | C14 | C15 | H3 | 47.1° | 52.7° |
| O13 | C14 | C15 | O16 | 69.7° | 69.6° |
| C15 | C30 | C28 | C17 | 9.0° | 0.0° |
| C30 | C15 | O16 | C17 | 2.8° | 40.4° |
| C15 | C30 | C28 | O31 | 119.1° | 118.6° |
| C15 | C30 | C28 | H14 | 120.6° | 118.6° |
| C15 | C30 | C28 | O29 | 127.4° | 118.6° |
| C15 | C30 | O31 | H14 | 123.7° | 122.6° |
| C30 | C15 | C14 | H1 | 51.6° | 55.0° |
| C30 | C15 | C14 | H2 | 69.9° | 65.0° |
| C30 | C15 | H3 | O16 | 121.9° | 115.4° |
| C15 | C30 | C28 | H13 | 108.4° | 118.6° |
| C15 | C30 | O31 | H34 | 180.0° | 179.9° |
| C28 | C17 | N18 | O16 | 121.4° | 115.4° |
| C28 | C17 | N18 | H5 | 116.0° | 122.3° |
| C28 | C17 | O16 | H5 | 115.6° | 118.8° |
| C28 | C17 | N18 | C19 | 42.4° | 95.0° |
| C28 | C17 | N18 | C22 | 135.7° | 85.0° |
| C17 | C28 | C30 | O29 | 118.5° | 118.6° |
| C17 | C28 | C30 | H13 | 117.4° | 118.6° |
| C17 | C28 | O29 | H13 | 122.3° | 122.6° |
| C17 | C28 | C30 | O31 | 110.2° | 118.6° |
| C17 | C28 | C30 | H14 | 129.6° | 118.6° |
| C17 | C28 | O29 | H33 | 180.0° | 180.0° |
| C28 | C17 | O16 | C15 | 3.1° | 40.4° |
| N18 | C17 | O16 | H5 | 121.5° | 122.3° |
| C17 | N18 | C19 | C22 | 178.4° | 180.0° |
| C17 | N18 | C19 | N20 | 179.4° | 180.0° |
| C17 | N18 | C22 | C21 | 179.1° | 180.0° |
| C17 | N18 | C22 | N23 | 1.6° | 0.0° |
| N18 | C17 | C28 | C30 | 131.8° | 142.8° |
| N18 | C17 | C28 | O29 | 111.0° | 98.6° |
| C17 | N18 | C19 | H6 | 0.6° | 0.3° |
| N18 | C17 | C28 | H13 | 14.0° | 24.2° |
| N18 | C17 | O16 | C15 | 125.9° | 159.3° |
| O16 | C17 | N18 | C19 | 79.0° | 20.4° |
| O16 | C17 | N18 | C22 | 102.9° | 159.6° |
| O16 | C17 | C28 | C30 | 7.3° | 23.9° |
| O16 | C17 | C28 | O29 | 124.5° | 142.6° |
| C17 | O16 | C15 | H3 | 125.9° | 78.4° |
| O16 | C17 | C28 | H13 | 110.5° | 94.7° |
| N18 | C19 | N20 | H6 | 180.0° | 179.7° |
| C19 | N18 | C22 | C21 | 0.7° | 0.0° |
| N18 | C19 | N20 | C21 | 0.9° | 0.0° |
| C19 | N18 | C22 | N23 | 180.0° | 180.0° |
| C19 | N18 | C17 | H5 | 158.5° | 142.7° |
| C19 | N20 | C21 | C22 | 0.5° | 0.0° |
| C19 | N20 | C21 | C26 | 179.9° | 180.0° |
| N20 | C19 | N18 | C22 | 1.0° | 0.0° |
| C03 | C02 | C35 | O01 | 124.9° | 118.3° |
| C03 | C02 | C35 | H7 | 119.7° | 118.2° |
| C03 | C02 | O01 | H7 | 126.5° | 123.7° |
| C02 | C03 | C05 | O04 | 121.4° | 118.7° |
| C02 | C03 | C05 | H8 | 121.2° | 118.6° |
| C02 | C03 | O04 | H8 | 127.5° | 122.6° |
| C02 | C03 | C05 | C06 | 94.8° | 121.5° |
| C02 | C03 | C05 | O34 | 26.2° | 2.0° |
| C03 | C02 | C35 | N36 | 125.2° | 155.5° |
| C03 | C02 | C35 | O34 | 3.9° | 37.0° |
| C02 | C03 | C05 | H9 | 142.2° | 117.6° |
| C03 | C02 | C35 | H15 | 116.1° | 81.6° |
| C03 | C02 | O01 | H30 | 180.0° | 61.4° |
| C02 | C03 | O04 | H31 | 180.0° | 61.4° |
| C35 | C02 | O01 | H7 | 113.9° | 123.5° |
| C35 | C02 | C03 | C05 | 18.1° | 20.9° |
| C35 | C02 | C03 | O04 | 98.0° | 97.8° |
| C02 | C35 | O34 | C05 | 13.1° | 40.0° |
| C02 | C35 | N36 | O34 | 120.6° | 114.0° |
| C02 | C35 | N36 | H15 | 117.1° | 122.9° |
| C02 | C35 | O34 | H15 | 117.1° | 118.5° |
| C02 | C35 | N36 | C37 | 50.4° | 100.0° |
| C02 | C35 | N36 | C39 | 131.4° | 80.0° |
| C35 | C02 | C03 | H8 | 136.4° | 139.5° |
| C35 | C02 | O01 | H30 | 60.4° | 174.1° |
| O01 | C02 | C03 | C05 | 136.6° | 139.1° |
| O01 | C02 | C03 | O04 | 20.4° | 20.4° |
| O01 | C02 | C35 | N36 | 109.9° | 86.3° |
| O01 | C02 | C35 | O34 | 128.8° | 155.3° |
| O01 | C02 | C03 | H8 | 105.2° | 102.2° |
| O01 | C02 | C35 | H15 | 8.8° | 36.6° |
| C05 | C03 | O04 | H8 | 116.7° | 122.6° |
| C03 | C05 | C06 | O34 | 117.7° | 117.9° |
| C03 | C05 | C06 | H9 | 121.6° | 120.9° |
| C03 | C05 | O34 | H9 | 115.5° | 119.5° |
| C03 | C05 | C06 | O07 | 179.5° | 175.0° |
| C03 | C05 | O34 | C35 | 23.4° | 26.5° |
| C05 | C03 | C02 | H7 | 98.4° | 97.3° |
| C03 | C05 | C06 | H10 | 61.3° | 55.0° |
| C03 | C05 | C06 | H11 | 60.3° | 65.1° |
| C05 | C03 | O04 | H31 | 64.2° | 176.2° |
| O04 | C03 | C05 | C06 | 143.8° | 119.8° |
| O04 | C03 | C05 | O34 | 95.2° | 120.7° |
| O04 | C03 | C02 | H7 | 145.5° | 144.0° |
| O04 | C03 | C05 | H9 | 20.8° | 1.1° |
| C06 | C05 | O34 | H9 | 121.8° | 121.1° |
| C05 | C06 | O07 | H10 | 119.2° | 120.0° |
| C05 | C06 | O07 | H11 | 119.2° | 119.9° |
| C06 | C05 | O34 | C35 | 99.2° | 145.9° |
| C05 | C06 | O07 | P08 | 174.8° | 180.0° |
| C06 | C05 | C03 | H8 | 26.4° | 2.8° |
| C05 | C06 | H10 | H11 | 122.3° | 120.0° |
| O34 | C05 | C06 | O07 | 61.9° | 67.1° |
| C05 | O34 | C35 | N36 | 108.7° | 158.5° |
| O34 | C05 | C03 | H8 | 147.4° | 116.6° |
| O34 | C05 | C06 | H10 | 178.9° | 172.9° |
| O34 | C05 | C06 | H11 | 57.4° | 52.8° |
| C05 | O34 | C35 | H15 | 130.2° | 78.5° |
| C06 | O07 | P08 | O09 | 173.2° | 55.0° |
| C06 | O07 | P08 | O10 | 66.2° | 175.0° |
| C06 | O07 | P08 | O33 | 48.5° | 65.0° |
| O07 | C06 | C05 | H9 | 58.9° | 54.0° |
| O07 | C06 | H10 | H11 | 122.4° | 120.0° |
| C22 | C21 | C26 | N20 | 179.6° | 180.0° |
| C21 | C22 | N18 | N23 | 179.3° | 180.0° |
| C21 | C22 | N23 | C24 | 0.4° | 0.0° |
| C22 | C21 | C26 | N25 | 0.0° | 0.0° |
| C22 | C21 | C26 | N27 | 179.7° | 180.0° |
| C26 | C21 | C22 | N18 | 179.6° | 180.0° |
| C26 | C21 | C22 | N23 | 0.2° | 0.0° |
| C21 | C26 | N25 | C24 | 0.1° | 0.0° |
| C21 | C26 | N25 | N27 | 179.7° | 179.9° |
| C21 | C26 | N27 | H27 | 179.6° | 0.0° |
| C21 | C26 | N27 | H28 | 60.4° | 180.0° |
| N20 | C21 | C22 | N18 | 0.1° | 0.0° |
| N20 | C21 | C22 | N23 | 179.5° | 180.0° |
| N20 | C21 | C26 | N25 | 179.7° | 180.0° |
| N20 | C21 | C26 | N27 | 0.7° | 0.1° |
| C21 | N20 | C19 | H6 | 179.1° | 179.7° |
| N18 | C22 | N23 | C24 | 179.6° | 180.0° |
| C22 | N18 | C17 | H5 | 19.7° | 37.3° |
| C22 | N18 | C19 | H6 | 179.0° | 179.7° |
| C22 | N23 | C24 | N25 | 0.3° | 0.0° |
| C22 | N23 | C24 | H12 | 179.8° | 180.0° |
| N23 | C24 | N25 | H12 | 180.0° | 179.9° |
| N23 | C24 | N25 | C26 | 0.0° | 0.0° |
| C24 | N25 | C26 | N27 | 179.8° | 179.9° |
| C26 | N25 | C24 | H12 | 180.0° | 180.0° |
| N25 | C26 | N27 | H27 | 0.0° | 179.9° |
| N25 | C26 | N27 | H28 | 120.0° | 0.0° |
| C26 | N27 | H27 | H28 | 120.0° | 180.0° |
| C30 | C28 | O29 | H13 | 121.6° | 122.7° |
| C28 | C30 | O31 | H14 | 119.4° | 122.7° |
| C28 | C30 | C15 | H3 | 127.4° | 95.0° |
| C30 | C28 | C17 | H5 | 110.9° | 94.9° |
| C30 | C28 | O29 | H33 | 63.9° | 65.4° |
| C28 | C30 | O31 | H34 | 63.0° | 65.3° |
| C28 | C30 | C15 | O16 | 7.3° | 23.9° |
| O29 | C28 | C30 | O31 | 8.3° | 0.0° |
| O29 | C28 | C17 | H5 | 6.3° | 23.7° |
| O29 | C28 | C30 | H14 | 112.0° | 122.8° |
| O31 | C30 | C15 | H3 | 8.2° | 23.7° |
| O31 | C30 | C28 | H13 | 132.5° | 122.8° |
| O31 | C30 | C15 | O16 | 111.9° | 142.6° |
| N36 | C35 | O34 | H15 | 121.1° | 123.0° |
| C35 | N36 | C37 | C38 | 178.0° | 180.0° |
| C35 | N36 | C37 | C39 | 178.2° | 180.0° |
| C35 | N36 | C39 | C40 | 178.5° | 180.0° |
| N36 | C35 | C02 | H7 | 5.5° | 37.3° |
| C35 | N36 | C37 | H16 | 2.0° | 0.2° |
| C35 | N36 | C39 | H18 | 1.5° | 0.0° |
| O34 | C35 | N36 | C37 | 171.0° | 145.9° |
| O34 | C35 | N36 | C39 | 10.7° | 34.1° |
| O34 | C35 | C02 | H7 | 115.8° | 81.2° |
| C35 | O34 | C05 | H9 | 139.0° | 93.0° |
| C38 | C37 | N36 | H16 | 180.0° | 179.8° |
| C37 | C38 | C41 | H17 | 180.0° | 180.0° |
| C38 | C37 | N36 | C39 | 0.2° | 0.1° |
| C37 | C38 | C41 | C40 | 0.4° | 0.0° |
| C37 | C38 | C41 | C42 | 179.3° | 180.0° |
| N36 | C37 | C38 | C41 | 0.5° | 0.0° |
| C37 | N36 | C39 | C40 | 0.3° | 0.0° |
| C37 | N36 | C35 | H15 | 66.7° | 22.9° |
| N36 | C37 | C38 | H17 | 179.5° | 180.0° |
| C37 | N36 | C39 | H18 | 179.7° | 180.0° |
| C38 | C41 | C40 | C39 | 0.0° | 0.1° |
| C38 | C41 | C40 | C42 | 179.7° | 180.0° |
| C38 | C41 | C42 | N43 | 2.4° | 90.0° |
| C41 | C38 | C37 | H16 | 179.5° | 179.7° |
| C38 | C41 | C40 | H19 | 180.0° | 180.0° |
| C38 | C41 | C42 | H20 | 122.1° | 150.0° |
| C38 | C41 | C42 | H21 | 117.3° | 30.0° |
| C40 | C39 | N36 | H18 | 180.0° | 180.0° |
| C39 | C40 | C41 | H19 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 179.7° | 180.0° |
| N36 | C39 | C40 | C41 | 0.4° | 0.1° |
| C39 | N36 | C35 | H15 | 111.6° | 157.1° |
| C39 | N36 | C37 | H16 | 179.8° | 179.7° |
| N36 | C39 | C40 | H19 | 179.6° | 180.0° |
| C40 | C41 | C42 | N43 | 177.9° | 90.0° |
| C40 | C41 | C38 | H17 | 179.6° | 179.9° |
| C41 | C40 | C39 | H18 | 179.7° | 180.0° |
| C40 | C41 | C42 | H20 | 58.2° | 30.1° |
| C40 | C41 | C42 | H21 | 62.4° | 150.1° |
| C41 | C42 | N43 | H20 | 119.7° | 120.0° |
| C41 | C42 | N43 | H21 | 119.7° | 120.0° |
| C41 | C42 | N43 | C44 | 84.2° | 90.0° |
| C41 | C42 | N43 | C52 | 94.9° | 89.9° |
| C42 | C41 | C38 | H17 | 0.7° | 0.0° |
| C42 | C41 | C40 | H19 | 0.3° | 0.1° |
| C41 | C42 | H20 | H21 | 120.8° | 120.0° |
| C42 | N43 | C44 | C52 | 179.0° | 180.0° |
| C42 | N43 | C44 | N45 | 179.0° | 180.0° |
| C42 | N43 | C44 | O51 | 0.2° | 0.0° |
| N43 | C42 | H20 | H21 | 120.9° | 120.0° |
| C42 | N43 | C52 | H24 | 180.0° | 90.0° |
| C42 | N43 | C52 | H25 | 60.0° | 150.0° |
| C42 | N43 | C52 | H26 | 60.0° | 30.0° |
| N43 | C44 | N45 | O51 | 179.2° | 179.9° |
| N43 | C44 | N45 | C46 | 179.2° | 180.0° |
| C44 | N43 | C42 | H20 | 156.1° | 30.0° |
| C44 | N43 | C42 | H21 | 35.5° | 150.0° |
| C44 | N43 | C52 | H24 | 1.0° | 90.0° |
| C44 | N43 | C52 | H25 | 119.0° | 30.1° |
| C44 | N43 | C52 | H26 | 121.0° | 150.0° |
| N43 | C44 | N45 | H29 | 0.8° | 0.1° |
| C44 | N45 | C46 | C47 | 103.2° | 179.9° |
| C44 | N45 | C46 | H29 | 180.0° | 179.9° |
| N45 | C44 | N43 | C52 | 0.0° | 0.1° |
| C44 | N45 | C46 | H22 | 16.6° | 60.1° |
| C44 | N45 | C46 | H23 | 136.9° | 60.0° |
| O51 | C44 | N45 | C46 | 1.6° | 0.1° |
| O51 | C44 | N43 | C52 | 179.2° | 180.0° |
| O51 | C44 | N45 | H29 | 178.4° | 179.9° |
| C47 | C46 | N45 | H22 | 119.8° | 120.0° |
| C47 | C46 | N45 | H23 | 119.8° | 120.0° |
| C46 | C47 | F48 | F49 | 120.8° | 120.0° |
| C46 | C47 | F48 | F50 | 119.7° | 120.0° |
| C46 | C47 | F49 | F50 | 120.8° | 119.9° |
| C47 | C46 | H22 | H23 | 120.5° | 120.0° |
| C47 | C46 | N45 | H29 | 76.8° | 0.1° |
| N45 | C46 | C47 | F48 | 63.8° | 60.0° |
| N45 | C46 | C47 | F49 | 174.3° | 180.0° |
| N45 | C46 | C47 | F50 | 54.2° | 60.0° |
| N45 | C46 | H22 | H23 | 120.5° | 120.1° |
| F48 | C47 | F49 | F50 | 118.6° | 120.0° |
| F48 | C47 | C46 | H22 | 56.0° | 180.0° |
| F48 | C47 | C46 | H23 | 176.3° | 60.0° |
| F49 | C47 | C46 | H22 | 65.9° | 60.0° |
| F49 | C47 | C46 | H23 | 54.4° | 60.0° |
| F50 | C47 | C46 | H22 | 174.0° | 60.0° |
| F50 | C47 | C46 | H23 | 65.6° | 180.0° |
| C52 | N43 | C42 | H20 | 24.9° | 150.0° |
| C52 | N43 | C42 | H21 | 145.4° | 30.0° |
| N43 | C52 | H24 | H25 | 120.0° | 120.0° |
| N43 | C52 | H24 | H26 | 120.0° | 120.0° |
| N43 | C52 | H25 | H26 | 120.0° | 120.0° |
| O07 | P08 | O09 | O10 | 115.5° | 120.0° |
| O07 | P08 | O09 | O33 | 122.7° | 120.0° |
| O07 | P08 | O10 | O33 | 116.8° | 120.0° |
| O07 | P08 | O10 | P11 | 127.4° | 165.0° |
| P08 | O07 | C06 | H10 | 55.6° | 60.0° |
| P08 | O07 | C06 | H11 | 66.0° | 60.0° |
| O07 | P08 | O33 | H36 | 122.1° | 59.9° |
| O09 | P08 | O10 | O33 | 125.2° | 120.0° |
| O09 | P08 | O10 | P11 | 9.3° | 45.0° |
| O09 | P08 | O33 | H36 | 0.0° | 180.0° |
| P08 | O10 | P11 | O12 | 75.3° | 45.0° |
| P08 | O10 | P11 | O13 | 164.1° | 165.0° |
| P08 | O10 | P11 | O32 | 45.3° | 75.0° |
| O10 | P08 | O33 | H36 | 124.8° | 60.0° |
| O10 | P11 | O12 | O13 | 118.5° | 120.0° |
| O10 | P11 | O12 | O32 | 119.5° | 120.0° |
| O10 | P11 | O13 | O32 | 119.1° | 120.0° |
| P11 | O10 | P08 | O33 | 115.9° | 75.0° |
| O10 | P11 | O32 | H35 | 118.2° | 60.0° |
| O12 | P11 | O13 | O32 | 123.1° | 120.0° |
| O12 | P11 | O32 | H35 | 0.0° | 180.0° |
| P11 | O13 | C14 | H1 | 0.9° | 60.0° |
| P11 | O13 | C14 | H2 | 120.7° | 60.0° |
| O13 | P11 | O32 | H35 | 123.4° | 60.0° |
| H1 | C14 | C15 | H3 | 72.1° | 67.3° |
| H1 | C14 | C15 | O16 | 171.1° | 170.4° |
| H2 | C14 | C15 | H3 | 166.3° | 172.8° |
| H2 | C14 | C15 | O16 | 49.5° | 50.5° |
| H3 | C15 | C30 | H14 | 114.2° | 146.4° |
| H5 | C17 | C28 | H13 | 131.3° | 146.5° |
| H5 | C17 | O16 | C15 | 112.5° | 78.4° |
| H7 | C02 | C03 | H8 | 19.9° | 21.4° |
| H7 | C02 | C35 | H15 | 124.2° | 160.2° |
| H7 | C02 | O01 | H30 | 53.5° | 62.3° |
| H8 | C03 | C05 | H9 | 96.6° | 123.8° |
| H8 | C03 | O04 | H31 | 52.5° | 61.2° |
| H9 | C05 | C06 | H10 | 60.3° | 66.0° |
| H9 | C05 | C06 | H11 | 178.1° | 174.0° |
| H13 | C28 | C30 | H14 | 12.2° | 0.0° |
| H13 | C28 | O29 | H33 | 57.7° | 57.3° |
| H14 | C30 | O31 | H34 | 56.4° | 57.4° |
| H14 | C30 | C15 | O16 | 125.6° | 94.7° |
| H16 | C37 | C38 | H17 | 0.5° | 0.2° |
| H18 | C39 | C40 | H19 | 0.4° | 0.1° |
| H22 | C46 | N45 | H29 | 163.4° | 120.0° |
| H23 | C46 | N45 | H29 | 43.0° | 119.9° |
| H24 | C52 | H25 | H26 | 120.0° | 120.0° |
