Q2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| O04 | C03 | sing | 1.43Å | 1.50Å | |
| C02 | C03 | sing | 1.55Å | 1.68Å | |
| C02 | C35 | sing | 1.55Å | 1.36Å | |
| C03 | C05 | sing | 1.54Å | 1.27Å | |
| O34 | C35 | sing | 1.44Å | 1.51Å | |
| O34 | C05 | sing | 1.44Å | 1.64Å | |
| C35 | N36 | sing | 1.46Å | 1.51Å | |
| C53 | O52 | sing | 1.43Å | 1.46Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| O52 | C51 | sing | 1.43Å | 1.43Å | |
| N36 | C37 | doub | 1.29Å | 1.39Å | Aromatic |
| N36 | C64 | sing | 1.32Å | 1.50Å | Aromatic |
| C51 | C50 | sing | 1.53Å | 1.57Å | |
| C50 | O49 | sing | 1.43Å | 1.44Å | |
| C37 | S38 | sing | 1.71Å | 1.66Å | Aromatic |
| C06 | O07 | sing | 1.43Å | 1.45Å | |
| O09 | P08 | doub | 1.48Å | 1.54Å | |
| O49 | C48 | sing | 1.43Å | 1.44Å | |
| C64 | C39 | doub | 1.35Å | 1.44Å | Aromatic |
| C48 | C54 | sing | 1.53Å | 1.54Å | |
| C48 | C47 | sing | 1.53Å | 1.54Å | |
| O07 | P08 | sing | 1.61Å | 1.69Å | |
| P08 | O33 | sing | 1.61Å | 1.50Å | |
| P08 | O10 | sing | 1.61Å | 1.69Å | |
| S38 | C39 | sing | 1.76Å | 1.61Å | Aromatic |
| C54 | C55 | sing | 1.53Å | 1.55Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.48Å | 1.59Å | |
| C45 | C46 | sing | 1.53Å | 1.55Å | |
| C45 | C55 | sing | 1.53Å | 1.55Å | |
| C45 | N44 | sing | 1.47Å | 1.50Å | |
| N44 | C43 | sing | 1.38Å | 1.50Å | |
| C41 | C40 | doub | 1.39Å | 1.43Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 1.42Å | Aromatic |
| C40 | C63 | sing | 1.40Å | 1.42Å | Aromatic |
| O10 | P11 | sing | 1.61Å | 1.71Å | |
| C43 | C42 | sing | 1.47Å | 1.55Å | |
| C43 | C56 | doub | 1.37Å | 1.48Å | |
| O32 | P11 | doub | 1.48Å | 1.51Å | |
| C42 | C61 | doub | 1.41Å | 1.42Å | Aromatic |
| C63 | C62 | doub | 1.36Å | 1.43Å | Aromatic |
| P11 | O12 | sing | 1.61Å | 1.52Å | |
| P11 | O13 | sing | 1.61Å | 1.67Å | |
| C14 | O13 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.59Å | |
| N20 | C19 | doub | 1.30Å | 1.36Å | Aromatic |
| N20 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | N18 | sing | 1.36Å | 1.35Å | Aromatic |
| C56 | C57 | sing | 1.40Å | 1.51Å | |
| C61 | C62 | sing | 1.39Å | 1.43Å | Aromatic |
| C61 | N58 | sing | 1.38Å | 1.53Å | |
| O16 | C15 | sing | 1.44Å | 1.27Å | |
| O16 | C17 | sing | 1.44Å | 1.62Å | |
| N27 | C26 | sing | 1.38Å | 1.50Å | |
| C15 | C30 | sing | 1.55Å | 1.57Å | |
| C21 | C26 | doub | 1.40Å | 1.45Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| N18 | C17 | sing | 1.46Å | 1.45Å | |
| N18 | C22 | sing | 1.37Å | 1.38Å | Aromatic |
| C26 | N25 | sing | 1.33Å | 1.34Å | Aromatic |
| C57 | N58 | sing | 1.34Å | 1.50Å | |
| C57 | O60 | doub | 1.22Å | 1.20Å | |
| N58 | C59 | sing | 1.46Å | 1.48Å | |
| C17 | C28 | sing | 1.55Å | 1.31Å | |
| C22 | N23 | doub | 1.33Å | 1.38Å | Aromatic |
| C30 | C28 | sing | 1.54Å | 1.51Å | |
| C30 | O31 | sing | 1.43Å | 1.38Å | |
| N25 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
| C28 | O29 | sing | 1.43Å | 1.53Å | |
| N23 | C24 | sing | 1.32Å | 1.34Å | Aromatic |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.08Å | 1.08Å | |
| C41 | H16 | sing | 1.08Å | 1.08Å | |
| C45 | H17 | sing | 1.09Å | 1.10Å | |
| C46 | H18 | sing | 1.09Å | 1.10Å | |
| C46 | H19 | sing | 1.09Å | 1.10Å | |
| C47 | H20 | sing | 1.09Å | 1.10Å | |
| C47 | H21 | sing | 1.09Å | 1.10Å | |
| C48 | H22 | sing | 1.09Å | 1.10Å | |
| C50 | H23 | sing | 1.09Å | 1.10Å | |
| C50 | H24 | sing | 1.09Å | 1.10Å | |
| C51 | H25 | sing | 1.09Å | 1.10Å | |
| C51 | H26 | sing | 1.09Å | 1.10Å | |
| C53 | H27 | sing | 1.09Å | 1.10Å | |
| C53 | H28 | sing | 1.09Å | 1.10Å | |
| C53 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C54 | H31 | sing | 1.09Å | 1.10Å | |
| C55 | H32 | sing | 1.09Å | 1.10Å | |
| C55 | H33 | sing | 1.09Å | 1.10Å | |
| C56 | H34 | sing | 1.08Å | 1.08Å | |
| C59 | H35 | sing | 1.09Å | 1.10Å | |
| C59 | H36 | sing | 1.09Å | 1.10Å | |
| C59 | H37 | sing | 1.09Å | 1.10Å | |
| C62 | H38 | sing | 1.08Å | 1.08Å | |
| C63 | H39 | sing | 1.08Å | 1.08Å | |
| C64 | H40 | sing | 1.08Å | 1.08Å | |
| N27 | H41 | sing | 0.97Å | 1.00Å | |
| N27 | H42 | sing | 0.97Å | 1.00Å | |
| N44 | H43 | sing | 0.97Å | 1.00Å | |
| O01 | H44 | sing | 0.97Å | 0.95Å | |
| O04 | H45 | sing | 0.97Å | 0.95Å | |
| O12 | H46 | sing | 0.97Å | 0.95Å | |
| O29 | H47 | sing | 0.97Å | 0.95Å | |
| O31 | H48 | sing | 0.97Å | 0.95Å | |
| O33 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 105.1° | 110.9° |
| O01 | C02 | C35 | 110.9° | 110.9° |
| O01 | C02 | H1 | 112.6° | 110.8° |
| C02 | O01 | H44 | 109.5° | 114.0° |
| O04 | C03 | C02 | 106.2° | 110.5° |
| O04 | C03 | C05 | 111.3° | 110.5° |
| O04 | C03 | H2 | 110.1° | 110.6° |
| C03 | O04 | H45 | 109.5° | 114.0° |
| C03 | C02 | C35 | 105.7° | 102.1° |
| C02 | C03 | C05 | 107.0° | 104.1° |
| C03 | C02 | H1 | 108.7° | 110.9° |
| C02 | C03 | H2 | 107.8° | 110.5° |
| C02 | C35 | O34 | 106.4° | 103.5° |
| C02 | C35 | N36 | 108.6° | 110.6° |
| C35 | C02 | H1 | 113.3° | 110.9° |
| C02 | C35 | H14 | 110.3° | 110.6° |
| C03 | C05 | O34 | 103.9° | 107.4° |
| C03 | C05 | C06 | 113.7° | 109.8° |
| C05 | C03 | H2 | 114.0° | 110.5° |
| C03 | C05 | H3 | 113.0° | 109.9° |
| C35 | O34 | C05 | 100.8° | 106.9° |
| O34 | C35 | N36 | 114.9° | 110.6° |
| O34 | C35 | H14 | 108.3° | 110.8° |
| O34 | C05 | C06 | 110.2° | 109.9° |
| O34 | C05 | H3 | 107.5° | 110.0° |
| C35 | N36 | C37 | 123.5° | 121.4° |
| C35 | N36 | C64 | 126.0° | 121.4° |
| N36 | C35 | H14 | 108.2° | 110.6° |
| C53 | O52 | C51 | 115.2° | 114.0° |
| O52 | C53 | H27 | 109.5° | 109.4° |
| O52 | C53 | H28 | 109.5° | 109.5° |
| O52 | C53 | H29 | 109.5° | 109.5° |
| C05 | C06 | O07 | 109.2° | 109.5° |
| C06 | C05 | H3 | 108.4° | 109.8° |
| C05 | C06 | H4 | 109.5° | 109.5° |
| C05 | C06 | H5 | 109.6° | 109.4° |
| O52 | C51 | C50 | 108.2° | 109.5° |
| O52 | C51 | H25 | 109.8° | 109.5° |
| O52 | C51 | H26 | 109.8° | 109.5° |
| C37 | N36 | C64 | 110.4° | 117.2° |
| N36 | C37 | S38 | 111.5° | 110.4° |
| N36 | C37 | H15 | 124.2° | 124.7° |
| N36 | C64 | C39 | 108.8° | 114.3° |
| N36 | C64 | H40 | 125.6° | 122.9° |
| C51 | C50 | O49 | 107.1° | 109.5° |
| C51 | C50 | H23 | 110.1° | 109.5° |
| C51 | C50 | H24 | 110.1° | 109.5° |
| C50 | C51 | H25 | 109.8° | 109.4° |
| C50 | C51 | H26 | 109.8° | 109.5° |
| C50 | O49 | C48 | 116.9° | 114.0° |
| O49 | C50 | H23 | 110.0° | 109.4° |
| O49 | C50 | H24 | 110.1° | 109.5° |
| C37 | S38 | C39 | 97.1° | 90.3° |
| S38 | C37 | H15 | 124.3° | 124.8° |
| C06 | O07 | P08 | 116.2° | 123.0° |
| O07 | C06 | H4 | 109.5° | 109.5° |
| O07 | C06 | H5 | 109.5° | 109.5° |
| O09 | P08 | O07 | 112.4° | 109.5° |
| O09 | P08 | O33 | 104.1° | 109.5° |
| O09 | P08 | O10 | 117.3° | 109.5° |
| O49 | C48 | C54 | 110.6° | 109.5° |
| O49 | C48 | C47 | 107.3° | 109.4° |
| O49 | C48 | H22 | 109.9° | 109.5° |
| C64 | C39 | S38 | 112.1° | 107.8° |
| C64 | C39 | C40 | 122.5° | 126.1° |
| C39 | C64 | H40 | 125.6° | 122.9° |
| C54 | C48 | C47 | 112.1° | 109.4° |
| C48 | C54 | C55 | 111.8° | 109.4° |
| C54 | C48 | H22 | 108.5° | 109.6° |
| C48 | C54 | H30 | 108.9° | 109.6° |
| C48 | C54 | H31 | 108.9° | 109.5° |
| C48 | C47 | C46 | 114.0° | 109.5° |
| C48 | C47 | H20 | 108.3° | 109.5° |
| C48 | C47 | H21 | 108.4° | 109.5° |
| C47 | C48 | H22 | 108.5° | 109.5° |
| O07 | P08 | O33 | 104.0° | 109.5° |
| O07 | P08 | O10 | 114.5° | 109.5° |
| O33 | P08 | O10 | 102.5° | 109.4° |
| P08 | O33 | H49 | 109.5° | 114.0° |
| P08 | O10 | P11 | 118.3° | 134.0° |
| S38 | C39 | C40 | 125.3° | 126.1° |
| C54 | C55 | C45 | 113.6° | 109.4° |
| C55 | C54 | H30 | 108.9° | 109.5° |
| C55 | C54 | H31 | 108.9° | 109.4° |
| C54 | C55 | H32 | 108.4° | 109.5° |
| C54 | C55 | H33 | 108.4° | 109.5° |
| C47 | C46 | C45 | 110.8° | 109.5° |
| C47 | C46 | H18 | 109.1° | 109.5° |
| C47 | C46 | H19 | 109.1° | 109.5° |
| C46 | C47 | H20 | 108.4° | 109.5° |
| C46 | C47 | H21 | 108.3° | 109.4° |
| C39 | C40 | C41 | 116.3° | 120.0° |
| C39 | C40 | C63 | 122.1° | 120.0° |
| C46 | C45 | C55 | 115.5° | 109.5° |
| C46 | C45 | N44 | 113.0° | 109.5° |
| C46 | C45 | H17 | 105.0° | 109.5° |
| C45 | C46 | H18 | 109.1° | 109.5° |
| C45 | C46 | H19 | 109.1° | 109.5° |
| C55 | C45 | N44 | 111.8° | 109.5° |
| C55 | C45 | H17 | 105.0° | 109.5° |
| C45 | C55 | H32 | 108.4° | 109.5° |
| C45 | C55 | H33 | 108.4° | 109.4° |
| C45 | N44 | C43 | 132.3° | 120.0° |
| N44 | C45 | H17 | 105.4° | 109.5° |
| C45 | N44 | H43 | 103.5° | 120.0° |
| N44 | C43 | C42 | 114.6° | 120.8° |
| N44 | C43 | C56 | 126.2° | 120.9° |
| C43 | N44 | H43 | 103.5° | 120.1° |
| C40 | C41 | C42 | 118.7° | 119.4° |
| C41 | C40 | C63 | 121.5° | 120.0° |
| C40 | C41 | H16 | 120.6° | 120.3° |
| C41 | C42 | C43 | 117.5° | 121.1° |
| C41 | C42 | C61 | 120.6° | 120.0° |
| C42 | C41 | H16 | 120.7° | 120.3° |
| C40 | C63 | C62 | 119.3° | 120.7° |
| C40 | C63 | H39 | 120.4° | 119.6° |
| O10 | P11 | O32 | 118.7° | 109.5° |
| O10 | P11 | O12 | 107.3° | 109.5° |
| O10 | P11 | O13 | 110.0° | 109.5° |
| C42 | C43 | C56 | 119.2° | 118.3° |
| C43 | C42 | C61 | 121.9° | 118.9° |
| C43 | C56 | C57 | 119.1° | 120.1° |
| C43 | C56 | H34 | 120.5° | 119.9° |
| O32 | P11 | O12 | 106.9° | 109.5° |
| O32 | P11 | O13 | 103.7° | 109.4° |
| C42 | C61 | C62 | 120.6° | 119.6° |
| C42 | C61 | N58 | 119.9° | 119.6° |
| C63 | C62 | C61 | 119.4° | 120.2° |
| C63 | C62 | H38 | 120.3° | 119.9° |
| C62 | C63 | H39 | 120.4° | 119.7° |
| O12 | P11 | O13 | 110.0° | 109.5° |
| P11 | O12 | H46 | 109.5° | 114.0° |
| P11 | O13 | C14 | 122.5° | 123.0° |
| O13 | C14 | C15 | 104.8° | 109.5° |
| O13 | C14 | H6 | 110.6° | 109.5° |
| O13 | C14 | H7 | 110.6° | 109.5° |
| C14 | C15 | O16 | 108.3° | 110.4° |
| C14 | C15 | C30 | 109.4° | 110.4° |
| C15 | C14 | H6 | 110.6° | 109.5° |
| C15 | C14 | H7 | 110.6° | 109.4° |
| C14 | C15 | H8 | 109.2° | 110.4° |
| C19 | N20 | C21 | 108.3° | 109.5° |
| N20 | C19 | N18 | 108.7° | 110.0° |
| N20 | C19 | H10 | 125.7° | 125.0° |
| N20 | C21 | C26 | 135.5° | 134.7° |
| N20 | C21 | C22 | 107.1° | 107.1° |
| C19 | N18 | C17 | 127.2° | 126.3° |
| C19 | N18 | C22 | 108.8° | 107.4° |
| N18 | C19 | H10 | 125.7° | 125.0° |
| C56 | C57 | N58 | 120.9° | 121.9° |
| C56 | C57 | O60 | 119.5° | 119.0° |
| C57 | C56 | H34 | 120.4° | 120.0° |
| C62 | C61 | N58 | 119.6° | 120.8° |
| C61 | C62 | H38 | 120.3° | 119.9° |
| C61 | N58 | C57 | 119.0° | 121.2° |
| C61 | N58 | C59 | 120.3° | 119.4° |
| C15 | O16 | C17 | 108.2° | 105.3° |
| O16 | C15 | C30 | 105.9° | 104.8° |
| O16 | C15 | H8 | 114.4° | 110.5° |
| O16 | C17 | N18 | 109.8° | 110.5° |
| O16 | C17 | C28 | 106.1° | 104.8° |
| O16 | C17 | H9 | 107.1° | 110.4° |
| N27 | C26 | C21 | 121.9° | 120.8° |
| N27 | C26 | N25 | 119.9° | 120.8° |
| C26 | N27 | H41 | 109.5° | 120.0° |
| C26 | N27 | H42 | 109.5° | 120.0° |
| C15 | C30 | C28 | 103.5° | 104.1° |
| C15 | C30 | O31 | 111.0° | 110.5° |
| C30 | C15 | H8 | 109.6° | 110.3° |
| C15 | C30 | H13 | 109.0° | 110.5° |
| C26 | C21 | C22 | 117.4° | 118.2° |
| C21 | C26 | N25 | 118.2° | 118.5° |
| C21 | C22 | N18 | 107.1° | 106.0° |
| C21 | C22 | N23 | 120.4° | 119.1° |
| C17 | N18 | C22 | 124.0° | 126.3° |
| N18 | C17 | C28 | 113.0° | 110.4° |
| N18 | C17 | H9 | 109.2° | 110.4° |
| N18 | C22 | N23 | 132.5° | 134.9° |
| C26 | N25 | C24 | 123.1° | 121.2° |
| N58 | C57 | O60 | 119.6° | 119.0° |
| C57 | N58 | C59 | 120.7° | 119.4° |
| N58 | C59 | H35 | 109.5° | 109.5° |
| N58 | C59 | H36 | 109.5° | 109.5° |
| N58 | C59 | H37 | 109.5° | 109.5° |
| C17 | C28 | C30 | 103.3° | 104.1° |
| C17 | C28 | O29 | 112.3° | 110.6° |
| C28 | C17 | H9 | 111.4° | 110.3° |
| C17 | C28 | H12 | 112.2° | 110.5° |
| C22 | N23 | C24 | 120.5° | 120.7° |
| C28 | C30 | O31 | 111.4° | 110.5° |
| C30 | C28 | O29 | 110.8° | 110.5° |
| C30 | C28 | H12 | 109.2° | 110.6° |
| C28 | C30 | H13 | 109.8° | 110.5° |
| O31 | C30 | H13 | 111.8° | 110.6° |
| C30 | O31 | H48 | 109.5° | 114.0° |
| N25 | C24 | N23 | 120.3° | 122.4° |
| N25 | C24 | H11 | 119.9° | 118.8° |
| O29 | C28 | H12 | 108.9° | 110.4° |
| C28 | O29 | H47 | 109.5° | 114.0° |
| N23 | C24 | H11 | 119.8° | 118.8° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.4° |
| H18 | C46 | H19 | 109.5° | 109.5° |
| H20 | C47 | H21 | 109.4° | 109.4° |
| H23 | C50 | H24 | 109.5° | 109.5° |
| H25 | C51 | H26 | 109.4° | 109.4° |
| H27 | C53 | H28 | 109.4° | 109.5° |
| H27 | C53 | H29 | 109.5° | 109.5° |
| H28 | C53 | H29 | 109.5° | 109.5° |
| H30 | C54 | H31 | 109.5° | 109.5° |
| H32 | C55 | H33 | 109.5° | 109.5° |
| H35 | C59 | H36 | 109.5° | 109.4° |
| H35 | C59 | H37 | 109.4° | 109.5° |
| H36 | C59 | H37 | 109.5° | 109.5° |
| H41 | N27 | H42 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | O04 | 7.0° | 20.4° |
| O01 | C02 | C03 | C35 | 117.3° | 118.2° |
| O01 | C02 | C03 | H1 | 120.8° | 123.6° |
| O01 | C02 | C35 | H1 | 127.7° | 123.6° |
| O01 | C02 | C03 | C05 | 126.0° | 139.1° |
| O01 | C02 | C35 | O34 | 94.5° | 155.2° |
| O01 | C02 | C35 | N36 | 141.3° | 86.3° |
| O01 | C02 | C03 | H2 | 111.0° | 102.2° |
| O01 | C02 | C35 | H14 | 22.8° | 36.6° |
| O04 | C03 | C02 | C05 | 118.9° | 118.7° |
| O04 | C03 | C02 | H2 | 118.1° | 122.7° |
| O04 | C03 | C02 | C35 | 110.3° | 97.8° |
| O04 | C03 | C05 | H2 | 125.3° | 122.7° |
| O04 | C03 | C05 | O34 | 86.5° | 120.7° |
| O04 | C03 | C05 | C06 | 153.7° | 119.9° |
| O04 | C03 | C02 | H1 | 127.8° | 144.0° |
| O04 | C03 | C05 | H3 | 29.7° | 1.1° |
| C03 | C02 | C35 | H1 | 118.9° | 118.3° |
| C02 | C03 | C05 | H2 | 119.1° | 118.6° |
| C03 | C02 | C35 | O34 | 18.8° | 37.0° |
| C02 | C03 | C05 | O34 | 29.1° | 2.1° |
| C03 | C02 | C35 | N36 | 105.4° | 155.5° |
| C02 | C03 | C05 | C06 | 90.7° | 121.5° |
| C02 | C03 | C05 | H3 | 145.3° | 117.6° |
| C03 | C02 | C35 | H14 | 136.1° | 81.6° |
| C03 | C02 | O01 | H44 | 180.0° | 61.5° |
| C02 | C03 | O04 | H45 | 180.0° | 61.5° |
| C35 | C02 | C03 | C05 | 8.7° | 20.9° |
| C02 | C35 | O34 | N36 | 120.2° | 118.5° |
| C02 | C35 | O34 | H14 | 118.6° | 118.6° |
| C02 | C35 | O34 | C05 | 34.5° | 40.1° |
| C02 | C35 | N36 | H14 | 119.8° | 122.9° |
| C02 | C35 | N36 | C37 | 15.8° | 80.0° |
| C02 | C35 | N36 | C64 | 162.8° | 100.0° |
| C35 | C02 | C03 | H2 | 131.7° | 139.6° |
| C35 | C02 | O01 | H44 | 66.3° | 174.2° |
| C03 | C05 | O34 | C35 | 40.7° | 26.6° |
| C03 | C05 | O34 | C06 | 122.2° | 119.4° |
| C03 | C05 | O34 | H3 | 120.0° | 119.6° |
| C03 | C05 | C06 | H3 | 126.5° | 121.0° |
| C03 | C05 | C06 | O07 | 161.0° | 175.0° |
| C05 | C03 | C02 | H1 | 113.3° | 97.3° |
| C03 | C05 | C06 | H4 | 79.1° | 54.9° |
| C03 | C05 | C06 | H5 | 41.0° | 65.0° |
| C05 | C03 | O04 | H45 | 63.9° | 176.2° |
| O34 | C35 | N36 | H14 | 121.2° | 123.1° |
| C35 | O34 | C05 | C06 | 81.4° | 146.0° |
| O34 | C35 | N36 | C37 | 134.8° | 34.1° |
| O34 | C35 | N36 | C64 | 43.8° | 146.0° |
| O34 | C35 | C02 | H1 | 137.8° | 81.2° |
| C35 | O34 | C05 | H3 | 160.7° | 93.0° |
| C05 | O34 | C35 | N36 | 85.7° | 158.6° |
| O34 | C05 | C06 | H3 | 117.3° | 121.1° |
| O34 | C05 | C06 | O07 | 44.8° | 67.2° |
| O34 | C05 | C03 | H2 | 148.2° | 116.6° |
| O34 | C05 | C06 | H4 | 164.8° | 172.8° |
| O34 | C05 | C06 | H5 | 75.2° | 52.8° |
| C05 | O34 | C35 | H14 | 153.1° | 78.5° |
| C35 | N36 | C37 | C64 | 178.8° | 180.0° |
| C35 | N36 | C37 | S38 | 179.2° | 180.0° |
| C35 | N36 | C64 | C39 | 179.4° | 179.7° |
| N36 | C35 | C02 | H1 | 13.6° | 37.3° |
| C35 | N36 | C37 | H15 | 0.8° | 0.2° |
| C35 | N36 | C64 | H40 | 0.6° | 0.5° |
| C53 | O52 | C51 | C50 | 170.1° | 180.0° |
| C53 | O52 | C51 | H25 | 70.1° | 60.0° |
| C53 | O52 | C51 | H26 | 50.2° | 60.0° |
| O52 | C53 | H27 | H28 | 120.0° | 120.0° |
| O52 | C53 | H27 | H29 | 120.0° | 120.0° |
| O52 | C53 | H28 | H29 | 120.0° | 120.0° |
| C05 | C06 | O07 | H4 | 120.0° | 120.0° |
| C05 | C06 | O07 | H5 | 120.0° | 119.9° |
| C05 | C06 | O07 | P08 | 103.0° | 180.0° |
| C06 | C05 | C03 | H2 | 28.4° | 2.8° |
| C05 | C06 | H4 | H5 | 120.1° | 119.9° |
| O52 | C51 | C50 | H25 | 119.8° | 120.0° |
| O52 | C51 | C50 | H26 | 119.8° | 120.0° |
| O52 | C51 | C50 | O49 | 64.8° | 65.0° |
| O52 | C51 | C50 | H23 | 175.6° | 175.0° |
| O52 | C51 | C50 | H24 | 54.8° | 55.0° |
| O52 | C51 | H25 | H26 | 120.6° | 120.1° |
| C51 | O52 | C53 | H27 | 180.0° | 180.0° |
| C51 | O52 | C53 | H28 | 60.0° | 60.0° |
| C51 | O52 | C53 | H29 | 60.0° | 60.0° |
| N36 | C37 | S38 | H15 | 180.0° | 179.7° |
| C37 | N36 | C64 | C39 | 0.6° | 0.3° |
| N36 | C37 | S38 | C39 | 2.3° | 0.3° |
| C37 | N36 | C35 | H14 | 104.0° | 157.1° |
| C37 | N36 | C64 | H40 | 179.3° | 179.6° |
| C64 | N36 | C37 | S38 | 2.0° | 0.0° |
| N36 | C64 | C39 | H40 | 180.0° | 179.9° |
| N36 | C64 | C39 | S38 | 1.0° | 0.5° |
| N36 | C64 | C39 | C40 | 178.1° | 180.0° |
| C64 | N36 | C35 | H14 | 77.4° | 22.9° |
| C64 | N36 | C37 | H15 | 178.0° | 179.8° |
| C51 | C50 | O49 | H23 | 119.7° | 120.0° |
| C51 | C50 | O49 | H24 | 119.6° | 120.0° |
| C51 | C50 | O49 | C48 | 174.1° | 180.0° |
| C51 | C50 | H23 | H24 | 121.1° | 120.0° |
| C50 | C51 | H25 | H26 | 120.6° | 119.9° |
| C50 | O49 | C48 | C54 | 46.8° | 150.0° |
| C50 | O49 | C48 | C47 | 169.2° | 90.0° |
| C50 | O49 | C48 | H22 | 73.0° | 30.0° |
| O49 | C50 | H23 | H24 | 121.1° | 120.0° |
| O49 | C50 | C51 | H25 | 55.0° | 175.0° |
| O49 | C50 | C51 | H26 | 175.4° | 55.0° |
| C37 | S38 | C39 | C64 | 1.9° | 0.4° |
| C37 | S38 | C39 | C40 | 178.9° | 180.0° |
| C06 | O07 | P08 | O09 | 93.9° | 55.0° |
| C06 | O07 | P08 | O33 | 18.1° | 65.0° |
| C06 | O07 | P08 | O10 | 129.0° | 175.0° |
| O07 | C06 | C05 | H3 | 72.5° | 54.0° |
| O07 | C06 | H4 | H5 | 120.1° | 120.1° |
| O09 | P08 | O07 | O33 | 112.0° | 120.0° |
| O09 | P08 | O07 | O10 | 137.1° | 120.0° |
| O09 | P08 | O33 | O10 | 122.6° | 120.0° |
| O09 | P08 | O10 | P11 | 125.1° | 44.9° |
| O09 | P08 | O33 | H49 | 0.0° | 179.9° |
| O49 | C48 | C54 | C47 | 119.7° | 119.9° |
| O49 | C48 | C54 | H22 | 120.6° | 120.0° |
| O49 | C48 | C47 | H22 | 118.7° | 120.0° |
| O49 | C48 | C54 | C55 | 163.3° | 180.0° |
| O49 | C48 | C47 | C46 | 177.7° | 180.0° |
| O49 | C48 | C47 | H20 | 57.0° | 60.0° |
| O49 | C48 | C47 | H21 | 61.6° | 60.0° |
| C48 | O49 | C50 | H23 | 54.4° | 60.0° |
| C48 | O49 | C50 | H24 | 66.3° | 60.0° |
| O49 | C48 | C54 | H30 | 42.9° | 60.0° |
| O49 | C48 | C54 | H31 | 76.4° | 60.1° |
| C64 | C39 | S38 | C40 | 177.0° | 179.6° |
| C64 | C39 | C40 | C41 | 1.6° | 179.6° |
| C64 | C39 | C40 | C63 | 179.8° | 0.1° |
| C54 | C48 | C47 | H22 | 119.7° | 120.1° |
| C48 | C54 | C55 | H30 | 120.4° | 120.1° |
| C48 | C54 | C55 | H31 | 120.4° | 119.9° |
| C54 | C48 | C47 | C46 | 60.7° | 60.1° |
| C48 | C54 | C55 | C45 | 10.4° | 60.1° |
| C54 | C48 | C47 | H20 | 178.6° | 60.0° |
| C54 | C48 | C47 | H21 | 59.9° | 180.0° |
| C48 | C54 | H30 | H31 | 118.9° | 120.0° |
| C48 | C54 | C55 | H32 | 110.2° | 59.9° |
| C48 | C54 | C55 | H33 | 131.0° | 180.0° |
| C47 | C48 | C54 | C55 | 43.6° | 60.1° |
| C48 | C47 | C46 | H20 | 120.7° | 120.1° |
| C48 | C47 | C46 | H21 | 120.7° | 120.0° |
| C48 | C47 | C46 | C45 | 18.3° | 60.0° |
| C48 | C47 | C46 | H18 | 101.9° | 180.0° |
| C48 | C47 | C46 | H19 | 138.4° | 60.0° |
| C48 | C47 | H20 | H21 | 118.0° | 120.0° |
| C47 | C48 | C54 | H30 | 76.8° | 60.0° |
| C47 | C48 | C54 | H31 | 163.9° | 180.0° |
| O07 | P08 | O33 | O10 | 119.5° | 120.0° |
| O07 | P08 | O10 | P11 | 100.0° | 165.0° |
| P08 | O07 | C06 | H4 | 17.0° | 60.0° |
| P08 | O07 | C06 | H5 | 137.0° | 60.0° |
| O07 | P08 | O33 | H49 | 117.9° | 60.0° |
| O33 | P08 | O10 | P11 | 11.9° | 75.1° |
| P08 | O10 | P11 | O32 | 7.6° | 45.1° |
| P08 | O10 | P11 | O12 | 128.7° | 75.0° |
| P08 | O10 | P11 | O13 | 111.5° | 165.0° |
| O10 | P08 | O33 | H49 | 122.6° | 59.9° |
| S38 | C39 | C40 | C41 | 175.1° | 0.8° |
| S38 | C39 | C40 | C63 | 3.1° | 179.4° |
| C39 | S38 | C37 | H15 | 177.7° | 180.0° |
| S38 | C39 | C64 | H40 | 179.0° | 179.4° |
| C54 | C55 | C45 | C46 | 53.4° | 60.0° |
| C54 | C55 | C45 | H32 | 120.6° | 120.0° |
| C54 | C55 | C45 | H33 | 120.6° | 120.0° |
| C54 | C55 | C45 | N44 | 175.5° | 60.0° |
| C54 | C55 | C45 | H17 | 61.7° | 180.0° |
| C55 | C54 | C48 | H22 | 76.1° | 60.0° |
| C55 | C54 | H30 | H31 | 118.9° | 119.9° |
| C54 | C55 | H32 | H33 | 118.1° | 120.0° |
| C47 | C46 | C45 | H18 | 120.2° | 120.0° |
| C47 | C46 | C45 | H19 | 120.2° | 120.0° |
| C47 | C46 | C45 | C55 | 37.0° | 60.0° |
| C47 | C46 | C45 | N44 | 167.5° | 60.0° |
| C47 | C46 | C45 | H17 | 78.1° | 180.0° |
| C47 | C46 | H18 | H19 | 119.4° | 120.0° |
| C46 | C47 | H20 | H21 | 117.9° | 120.0° |
| C46 | C47 | C48 | H22 | 59.0° | 60.0° |
| C39 | C40 | C41 | C63 | 178.2° | 179.8° |
| C39 | C40 | C41 | C42 | 178.2° | 180.0° |
| C39 | C40 | C63 | C62 | 179.1° | 179.7° |
| C39 | C40 | C41 | H16 | 1.8° | 0.0° |
| C39 | C40 | C63 | H39 | 0.9° | 0.0° |
| C40 | C39 | C64 | H40 | 1.9° | 0.2° |
| C46 | C45 | C55 | N44 | 131.0° | 120.0° |
| C46 | C45 | C55 | H17 | 115.2° | 120.0° |
| C46 | C45 | N44 | H17 | 114.2° | 120.0° |
| C46 | C45 | N44 | C43 | 40.9° | 155.0° |
| C45 | C46 | H18 | H19 | 119.4° | 120.0° |
| C45 | C46 | C47 | H20 | 138.9° | 60.0° |
| C45 | C46 | C47 | H21 | 102.4° | 180.0° |
| C46 | C45 | C55 | H32 | 67.2° | 60.0° |
| C46 | C45 | C55 | H33 | 174.0° | 180.0° |
| C46 | C45 | N44 | H43 | 163.8° | 25.0° |
| C55 | C45 | N44 | H17 | 113.5° | 120.0° |
| C55 | C45 | N44 | C43 | 91.4° | 85.0° |
| C55 | C45 | C46 | H18 | 157.2° | 180.0° |
| C55 | C45 | C46 | H19 | 83.2° | 60.0° |
| C45 | C55 | C54 | H30 | 130.8° | 60.0° |
| C45 | C55 | C54 | H31 | 109.9° | 180.0° |
| C45 | C55 | H32 | H33 | 118.1° | 120.0° |
| C55 | C45 | N44 | H43 | 31.5° | 95.0° |
| C45 | N44 | C43 | H43 | 122.9° | 180.0° |
| C45 | N44 | C43 | C42 | 168.7° | 180.0° |
| C45 | N44 | C43 | C56 | 13.2° | 0.0° |
| N44 | C45 | C46 | H18 | 72.3° | 60.0° |
| N44 | C45 | C46 | H19 | 47.3° | 180.0° |
| N44 | C45 | C55 | H32 | 63.9° | 180.0° |
| N44 | C45 | C55 | H33 | 54.9° | 60.0° |
| N44 | C43 | C42 | C41 | 0.7° | 0.0° |
| N44 | C43 | C42 | C56 | 178.3° | 180.0° |
| N44 | C43 | C42 | C61 | 178.5° | 180.0° |
| N44 | C43 | C56 | C57 | 179.2° | 180.0° |
| C43 | N44 | C45 | H17 | 155.0° | 35.0° |
| N44 | C43 | C56 | H34 | 0.8° | 0.0° |
| C40 | C41 | C42 | H16 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 179.8° | 180.0° |
| C40 | C41 | C42 | C61 | 1.0° | 0.0° |
| C41 | C40 | C63 | C62 | 1.0° | 0.5° |
| C41 | C40 | C63 | H39 | 179.0° | 179.7° |
| C42 | C41 | C40 | C63 | 0.0° | 0.3° |
| C41 | C42 | C43 | C61 | 179.2° | 180.0° |
| C41 | C42 | C43 | C56 | 179.0° | 180.0° |
| C41 | C42 | C61 | C62 | 1.1° | 0.0° |
| C41 | C42 | C61 | N58 | 179.6° | 180.0° |
| C40 | C63 | C62 | H39 | 180.0° | 179.8° |
| C40 | C63 | C62 | C61 | 1.0° | 0.4° |
| C63 | C40 | C41 | H16 | 180.0° | 179.8° |
| C40 | C63 | C62 | H38 | 179.0° | 179.7° |
| O10 | P11 | O32 | O12 | 121.4° | 120.0° |
| O10 | P11 | O32 | O13 | 122.3° | 120.0° |
| O10 | P11 | O12 | O13 | 119.7° | 120.0° |
| O10 | P11 | O13 | C14 | 59.6° | 175.0° |
| O10 | P11 | O12 | H46 | 128.3° | 60.0° |
| C42 | C43 | C56 | C57 | 1.1° | 0.0° |
| C43 | C42 | C61 | C62 | 179.8° | 180.0° |
| C43 | C42 | C61 | N58 | 0.4° | 0.0° |
| C43 | C42 | C41 | H16 | 0.3° | 0.0° |
| C42 | C43 | C56 | H34 | 178.9° | 180.0° |
| C42 | C43 | N44 | H43 | 68.4° | 0.0° |
| C56 | C43 | C42 | C61 | 0.1° | 0.0° |
| C43 | C56 | C57 | H34 | 180.0° | 180.0° |
| C43 | C56 | C57 | N58 | 1.5° | 0.0° |
| C43 | C56 | C57 | O60 | 179.6° | 179.9° |
| C56 | C43 | N44 | H43 | 109.7° | 180.0° |
| O32 | P11 | O12 | O13 | 111.9° | 120.0° |
| O32 | P11 | O13 | C14 | 68.2° | 55.0° |
| O32 | P11 | O12 | H46 | 0.0° | 180.0° |
| C42 | C61 | C62 | C63 | 0.1° | 0.2° |
| C42 | C61 | C62 | N58 | 179.4° | 180.0° |
| C42 | C61 | N58 | C57 | 0.0° | 0.0° |
| C42 | C61 | N58 | C59 | 179.7° | 180.0° |
| C61 | C42 | C41 | H16 | 178.9° | 180.0° |
| C42 | C61 | C62 | H38 | 179.9° | 180.0° |
| C63 | C62 | C61 | H38 | 180.0° | 179.9° |
| C63 | C62 | C61 | N58 | 179.4° | 179.8° |
| O12 | P11 | O13 | C14 | 177.7° | 65.0° |
| P11 | O13 | C14 | C15 | 148.9° | 180.0° |
| P11 | O13 | C14 | H6 | 91.8° | 59.9° |
| P11 | O13 | C14 | H7 | 29.7° | 60.0° |
| O13 | P11 | O12 | H46 | 111.9° | 60.0° |
| O13 | C14 | C15 | H6 | 119.3° | 120.1° |
| O13 | C14 | C15 | H7 | 119.2° | 120.0° |
| O13 | C14 | C15 | O16 | 78.1° | 69.6° |
| O13 | C14 | C15 | C30 | 36.8° | 175.0° |
| O13 | C14 | H6 | H7 | 122.1° | 120.0° |
| O13 | C14 | C15 | H8 | 156.7° | 52.8° |
| C14 | C15 | O16 | C30 | 117.3° | 118.8° |
| C14 | C15 | O16 | H8 | 122.0° | 122.3° |
| C14 | C15 | O16 | C17 | 112.2° | 159.4° |
| C14 | C15 | C30 | H8 | 119.7° | 122.2° |
| C14 | C15 | C30 | C28 | 92.4° | 142.8° |
| C14 | C15 | C30 | O31 | 148.0° | 98.5° |
| C15 | C14 | H6 | H7 | 122.1° | 120.0° |
| C14 | C15 | C30 | H13 | 24.5° | 24.2° |
| N20 | C19 | N18 | H10 | 180.0° | 179.8° |
| C19 | N20 | C21 | C26 | 179.7° | 179.8° |
| C19 | N20 | C21 | C22 | 0.2° | 0.2° |
| N20 | C19 | N18 | C17 | 179.4° | 179.8° |
| N20 | C19 | N18 | C22 | 0.5° | 0.2° |
| C21 | N20 | C19 | N18 | 0.2° | 0.0° |
| N20 | C21 | C26 | N27 | 0.2° | 0.5° |
| N20 | C21 | C26 | C22 | 179.5° | 179.5° |
| N20 | C21 | C22 | N18 | 0.4° | 0.3° |
| N20 | C21 | C26 | N25 | 179.3° | 179.5° |
| N20 | C21 | C22 | N23 | 179.7° | 179.6° |
| C21 | N20 | C19 | H10 | 179.8° | 179.8° |
| C19 | N18 | C17 | O16 | 35.9° | 20.4° |
| C19 | N18 | C22 | C21 | 0.6° | 0.4° |
| C19 | N18 | C17 | C22 | 178.8° | 180.0° |
| C19 | N18 | C17 | C28 | 82.4° | 95.0° |
| C19 | N18 | C22 | N23 | 179.6° | 179.6° |
| C19 | N18 | C17 | H9 | 153.0° | 142.8° |
| C56 | C57 | N58 | C61 | 0.9° | 0.0° |
| C56 | C57 | N58 | O60 | 178.9° | 179.9° |
| C56 | C57 | N58 | C59 | 178.8° | 180.0° |
| C62 | C61 | N58 | C57 | 179.4° | 180.0° |
| C62 | C61 | N58 | C59 | 0.9° | 0.1° |
| C61 | C62 | C63 | H39 | 179.0° | 179.8° |
| C61 | N58 | C57 | C59 | 179.7° | 180.0° |
| C61 | N58 | C57 | O60 | 179.8° | 179.9° |
| C61 | N58 | C59 | H35 | 180.0° | 180.0° |
| C61 | N58 | C59 | H36 | 60.0° | 60.1° |
| C61 | N58 | C59 | H37 | 60.0° | 60.0° |
| N58 | C61 | C62 | H38 | 0.6° | 0.1° |
| O16 | C15 | C30 | H8 | 123.8° | 118.9° |
| C15 | O16 | C17 | N18 | 141.2° | 159.4° |
| C15 | O16 | C17 | C28 | 18.7° | 40.5° |
| O16 | C15 | C30 | C28 | 24.1° | 24.0° |
| O16 | C15 | C30 | O31 | 95.5° | 142.6° |
| O16 | C15 | C14 | H6 | 162.6° | 170.3° |
| O16 | C15 | C14 | H7 | 41.1° | 50.4° |
| C15 | O16 | C17 | H9 | 100.4° | 78.2° |
| O16 | C15 | C30 | H13 | 141.0° | 94.7° |
| C17 | O16 | C15 | C30 | 5.0° | 40.5° |
| O16 | C17 | N18 | C28 | 118.3° | 115.4° |
| O16 | C17 | N18 | H9 | 117.1° | 122.4° |
| O16 | C17 | N18 | C22 | 142.9° | 159.6° |
| O16 | C17 | C28 | H9 | 116.2° | 118.8° |
| O16 | C17 | C28 | C30 | 32.8° | 23.9° |
| O16 | C17 | C28 | O29 | 152.2° | 142.6° |
| C17 | O16 | C15 | H8 | 125.8° | 78.3° |
| O16 | C17 | C28 | H12 | 84.7° | 94.8° |
| N27 | C26 | C21 | N25 | 179.5° | 179.9° |
| N27 | C26 | C21 | C22 | 179.7° | 179.9° |
| N27 | C26 | N25 | C24 | 179.9° | 179.9° |
| C26 | N27 | H41 | H42 | 120.0° | 179.9° |
| C15 | C30 | C28 | C17 | 36.0° | 0.0° |
| C15 | C30 | C28 | O31 | 119.3° | 118.7° |
| C15 | C30 | C28 | H13 | 116.3° | 118.6° |
| C15 | C30 | O31 | H13 | 121.9° | 122.6° |
| C15 | C30 | C28 | O29 | 156.5° | 118.7° |
| C30 | C15 | C14 | H6 | 82.5° | 54.9° |
| C30 | C15 | C14 | H7 | 156.1° | 65.0° |
| C15 | C30 | C28 | H12 | 83.6° | 118.7° |
| C15 | C30 | O31 | H48 | 180.0° | 179.9° |
| C26 | C21 | C22 | N18 | 179.9° | 180.0° |
| C26 | C21 | C22 | N23 | 0.1° | 0.0° |
| C21 | C26 | N25 | C24 | 0.4° | 0.0° |
| C21 | C26 | N27 | H41 | 179.5° | 0.1° |
| C21 | C26 | N27 | H42 | 59.5° | 180.0° |
| C21 | C22 | N18 | C17 | 179.6° | 179.6° |
| C21 | C22 | N18 | N23 | 179.8° | 180.0° |
| C22 | C21 | C26 | N25 | 0.2° | 0.0° |
| C21 | C22 | N23 | C24 | 0.0° | 0.0° |
| N18 | C17 | C28 | H9 | 123.3° | 122.2° |
| C17 | N18 | C22 | N23 | 0.6° | 0.4° |
| N18 | C17 | C28 | C30 | 153.2° | 142.9° |
| N18 | C17 | C28 | O29 | 87.4° | 98.4° |
| C17 | N18 | C19 | H10 | 0.6° | 0.0° |
| N18 | C17 | C28 | H12 | 35.7° | 24.2° |
| C22 | N18 | C17 | C28 | 98.8° | 85.0° |
| N18 | C22 | N23 | C24 | 179.9° | 180.0° |
| C22 | N18 | C17 | H9 | 25.8° | 37.2° |
| C22 | N18 | C19 | H10 | 179.6° | 180.0° |
| C26 | N25 | C24 | N23 | 0.5° | 0.1° |
| C26 | N25 | C24 | H11 | 179.5° | 180.0° |
| N25 | C26 | N27 | H41 | 0.0° | 180.0° |
| N25 | C26 | N27 | H42 | 120.0° | 0.1° |
| N58 | C57 | C56 | H34 | 178.5° | 180.0° |
| C57 | N58 | C59 | H35 | 0.3° | 0.1° |
| C57 | N58 | C59 | H36 | 119.7° | 120.0° |
| C57 | N58 | C59 | H37 | 120.3° | 120.0° |
| O60 | C57 | N58 | C59 | 0.1° | 0.0° |
| O60 | C57 | C56 | H34 | 0.3° | 0.1° |
| N58 | C59 | H35 | H36 | 120.0° | 120.0° |
| N58 | C59 | H35 | H37 | 120.0° | 120.1° |
| N58 | C59 | H36 | H37 | 120.0° | 120.1° |
| C17 | C28 | C30 | O29 | 120.5° | 118.7° |
| C17 | C28 | C30 | H12 | 119.6° | 118.7° |
| C17 | C28 | C30 | O31 | 83.3° | 118.7° |
| C17 | C28 | O29 | H12 | 125.0° | 122.6° |
| C17 | C28 | C30 | H13 | 152.3° | 118.6° |
| C17 | C28 | O29 | H47 | 180.0° | 180.0° |
| C22 | N23 | C24 | N25 | 0.2° | 0.0° |
| C22 | N23 | C24 | H11 | 179.8° | 180.0° |
| C28 | C30 | O31 | H13 | 123.3° | 122.7° |
| C30 | C28 | O29 | H12 | 120.1° | 122.7° |
| C28 | C30 | C15 | H8 | 147.9° | 94.9° |
| C30 | C28 | C17 | H9 | 83.5° | 94.9° |
| C30 | C28 | O29 | H47 | 65.0° | 65.4° |
| C28 | C30 | O31 | H48 | 65.2° | 65.4° |
| O31 | C30 | C28 | O29 | 37.2° | 0.0° |
| O31 | C30 | C15 | H8 | 28.3° | 23.7° |
| O31 | C30 | C28 | H12 | 157.1° | 122.6° |
| N25 | C24 | N23 | H11 | 180.0° | 180.0° |
| O29 | C28 | C17 | H9 | 35.9° | 23.8° |
| O29 | C28 | C30 | H13 | 87.2° | 122.7° |
| H1 | C02 | C03 | H2 | 9.7° | 21.3° |
| H1 | C02 | C35 | H14 | 104.9° | 160.1° |
| H1 | C02 | O01 | H44 | 61.9° | 62.2° |
| H2 | C03 | C05 | H3 | 95.6° | 123.8° |
| H2 | C03 | O04 | H45 | 63.5° | 61.1° |
| H3 | C05 | C06 | H4 | 47.4° | 66.0° |
| H3 | C05 | C06 | H5 | 167.5° | 174.0° |
| H6 | C14 | C15 | H8 | 37.4° | 67.3° |
| H7 | C14 | C15 | H8 | 84.0° | 172.8° |
| H8 | C15 | C30 | H13 | 95.2° | 146.4° |
| H9 | C17 | C28 | H12 | 159.1° | 146.4° |
| H12 | C28 | C30 | H13 | 32.7° | 0.1° |
| H12 | C28 | O29 | H47 | 55.0° | 57.4° |
| H13 | C30 | O31 | H48 | 58.1° | 57.3° |
| H17 | C45 | C46 | H18 | 42.1° | 60.0° |
| H17 | C45 | C46 | H19 | 161.7° | 60.0° |
| H17 | C45 | C55 | H32 | 177.7° | 60.0° |
| H17 | C45 | C55 | H33 | 58.9° | 60.0° |
| H17 | C45 | N44 | H43 | 82.1° | 144.9° |
| H18 | C46 | C47 | H20 | 18.7° | 59.9° |
| H18 | C46 | C47 | H21 | 137.4° | 60.0° |
| H19 | C46 | C47 | H20 | 100.9° | 180.0° |
| H19 | C46 | C47 | H21 | 17.8° | 60.0° |
| H20 | C47 | C48 | H22 | 61.7° | 179.9° |
| H21 | C47 | C48 | H22 | 179.7° | 60.0° |
| H22 | C48 | C54 | H30 | 163.5° | 180.0° |
| H22 | C48 | C54 | H31 | 44.2° | 60.0° |
| H23 | C50 | C51 | H25 | 64.6° | 55.0° |
| H23 | C50 | C51 | H26 | 55.7° | 64.9° |
| H24 | C50 | C51 | H25 | 174.7° | 65.0° |
| H24 | C50 | C51 | H26 | 65.0° | 175.0° |
| H27 | C53 | H28 | H29 | 120.0° | 120.0° |
| H30 | C54 | C55 | H32 | 10.2° | 180.0° |
| H30 | C54 | C55 | H33 | 108.6° | 59.9° |
| H31 | C54 | C55 | H32 | 129.5° | 60.0° |
| H31 | C54 | C55 | H33 | 10.7° | 60.1° |
| H35 | C59 | H36 | H37 | 120.0° | 119.9° |
| H38 | C62 | C63 | H39 | 1.0° | 0.1° |
