YHB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C50 | N49 | doub | 1.32Å | 1.33Å | Aromatic |
| C50 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| N49 | C28 | sing | 1.32Å | 1.33Å | Aromatic |
| C51 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | N29 | sing | 1.39Å | 1.45Å | |
| C28 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C30 | N29 | sing | 1.47Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C24 | sing | 1.48Å | 1.54Å | |
| N29 | C48 | sing | 1.47Å | 1.45Å | |
| N23 | C24 | sing | 1.35Å | 1.46Å | |
| N23 | C22 | sing | 1.46Å | 1.45Å | |
| O58 | C57 | sing | 1.43Å | 1.46Å | |
| C31 | N32 | sing | 1.47Å | 1.46Å | |
| C54 | C52 | sing | 1.53Å | 1.52Å | |
| C24 | O25 | doub | 1.22Å | 1.18Å | |
| C56 | C57 | sing | 1.55Å | 1.36Å | |
| C56 | N19 | sing | 1.47Å | 1.64Å | |
| C22 | C52 | sing | 1.53Å | 1.56Å | |
| C22 | C20 | sing | 1.51Å | 1.56Å | |
| C57 | C59 | sing | 1.55Å | 1.55Å | |
| C48 | C47 | sing | 1.53Å | 1.53Å | |
| C52 | C55 | sing | 1.53Å | 1.54Å | |
| C52 | C53 | sing | 1.53Å | 1.54Å | |
| N32 | C47 | sing | 1.47Å | 1.45Å | |
| N32 | C33 | sing | 1.40Å | 1.47Å | |
| N35 | C34 | sing | 1.39Å | 1.47Å | |
| N19 | C20 | sing | 1.35Å | 1.50Å | |
| N19 | C18 | sing | 1.47Å | 1.33Å | |
| C20 | O21 | doub | 1.21Å | 1.18Å | |
| C59 | C18 | sing | 1.54Å | 1.59Å | |
| C33 | C34 | doub | 1.40Å | 1.38Å | Aromatic |
| C33 | C46 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | N36 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C02 | sing | 1.51Å | 1.56Å | |
| C46 | C38 | doub | 1.40Å | 1.38Å | Aromatic |
| N36 | N37 | doub | 1.28Å | 1.38Å | Aromatic |
| C38 | N37 | sing | 1.33Å | 1.33Å | Aromatic |
| C38 | C39 | sing | 1.48Å | 1.42Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| C39 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | C44 | sing | 1.40Å | 1.40Å | Aromatic |
| O45 | C44 | sing | 1.36Å | 1.40Å | |
| C40 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| N03 | C04 | sing | 1.46Å | 1.48Å | |
| C44 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C04 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C16 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C09 | doub | 1.35Å | 1.40Å | Aromatic |
| C13 | N12 | sing | 1.31Å | 1.32Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.41Å | |
| C09 | S10 | sing | 1.76Å | 1.73Å | Aromatic |
| N12 | C11 | doub | 1.29Å | 1.33Å | Aromatic |
| C11 | S10 | sing | 1.71Å | 1.73Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.08Å | 1.08Å | |
| C41 | H21 | sing | 1.08Å | 1.08Å | |
| C42 | H22 | sing | 1.08Å | 1.08Å | |
| C43 | H23 | sing | 1.08Å | 1.08Å | |
| C46 | H24 | sing | 1.08Å | 1.08Å | |
| C47 | H25 | sing | 1.09Å | 1.10Å | |
| C47 | H26 | sing | 1.09Å | 1.10Å | |
| C48 | H27 | sing | 1.09Å | 1.10Å | |
| C48 | H28 | sing | 1.09Å | 1.10Å | |
| C50 | H29 | sing | 1.08Å | 1.08Å | |
| C51 | H30 | sing | 1.08Å | 1.08Å | |
| C53 | H31 | sing | 1.09Å | 1.10Å | |
| C53 | H32 | sing | 1.09Å | 1.10Å | |
| C53 | H33 | sing | 1.09Å | 1.10Å | |
| C54 | H34 | sing | 1.09Å | 1.10Å | |
| C54 | H35 | sing | 1.09Å | 1.10Å | |
| C54 | H36 | sing | 1.09Å | 1.10Å | |
| C55 | H37 | sing | 1.09Å | 1.10Å | |
| C55 | H38 | sing | 1.09Å | 1.10Å | |
| C55 | H39 | sing | 1.09Å | 1.10Å | |
| C56 | H40 | sing | 1.09Å | 1.10Å | |
| C56 | H41 | sing | 1.09Å | 1.10Å | |
| C57 | H42 | sing | 1.09Å | 1.10Å | |
| C59 | H43 | sing | 1.09Å | 1.10Å | |
| C59 | H44 | sing | 1.09Å | 1.10Å | |
| N03 | H45 | sing | 0.97Å | 1.00Å | |
| N23 | H46 | sing | 0.97Å | 1.00Å | |
| N35 | H47 | sing | 0.97Å | 1.00Å | |
| N35 | H48 | sing | 0.97Å | 1.00Å | |
| O45 | H49 | sing | 0.97Å | 0.95Å | |
| O58 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N49 | C50 | C51 | 121.2° | 121.0° |
| C50 | N49 | C28 | 120.7° | 121.9° |
| N49 | C50 | H29 | 119.4° | 119.5° |
| C50 | C51 | C26 | 118.6° | 119.1° |
| C51 | C50 | H29 | 119.4° | 119.5° |
| C50 | C51 | H30 | 120.7° | 120.4° |
| N49 | C28 | N29 | 123.9° | 119.6° |
| N49 | C28 | C27 | 120.7° | 120.7° |
| C51 | C26 | C27 | 118.2° | 118.3° |
| C51 | C26 | C24 | 126.5° | 120.9° |
| C26 | C51 | H30 | 120.7° | 120.4° |
| N29 | C28 | C27 | 115.4° | 119.7° |
| C28 | N29 | C30 | 123.3° | 111.0° |
| C28 | N29 | C48 | 119.6° | 111.0° |
| C28 | C27 | C26 | 120.6° | 118.9° |
| C28 | C27 | H15 | 119.7° | 120.5° |
| N29 | C30 | C31 | 113.8° | 109.4° |
| C30 | N29 | C48 | 112.6° | 110.9° |
| N29 | C30 | H16 | 108.4° | 109.4° |
| N29 | C30 | H17 | 108.4° | 109.4° |
| C30 | C31 | N32 | 114.5° | 109.4° |
| C31 | C30 | H16 | 108.4° | 109.6° |
| C31 | C30 | H17 | 108.4° | 109.5° |
| C30 | C31 | H18 | 108.2° | 109.5° |
| C30 | C31 | H19 | 108.2° | 109.5° |
| C27 | C26 | C24 | 115.2° | 120.9° |
| C26 | C27 | H15 | 119.7° | 120.5° |
| C26 | C24 | N23 | 123.2° | 120.0° |
| C26 | C24 | O25 | 115.1° | 120.0° |
| N29 | C48 | C47 | 112.5° | 109.4° |
| N29 | C48 | H27 | 108.7° | 109.5° |
| N29 | C48 | H28 | 108.7° | 109.5° |
| C24 | N23 | C22 | 123.5° | 120.0° |
| N23 | C24 | O25 | 121.7° | 120.0° |
| C24 | N23 | H46 | 118.3° | 120.0° |
| N23 | C22 | C52 | 109.3° | 109.4° |
| N23 | C22 | C20 | 113.3° | 109.5° |
| N23 | C22 | H14 | 107.6° | 109.5° |
| C22 | N23 | H46 | 118.2° | 120.0° |
| O58 | C57 | C56 | 110.0° | 111.0° |
| O58 | C57 | C59 | 109.3° | 111.1° |
| O58 | C57 | H42 | 110.1° | 110.9° |
| C57 | O58 | H50 | 109.5° | 114.0° |
| C31 | N32 | C47 | 109.3° | 110.9° |
| C31 | N32 | C33 | 119.6° | 110.9° |
| N32 | C31 | H18 | 108.2° | 109.5° |
| N32 | C31 | H19 | 108.2° | 109.4° |
| C54 | C52 | C22 | 109.1° | 109.5° |
| C54 | C52 | C55 | 106.4° | 109.4° |
| C54 | C52 | C53 | 108.7° | 109.5° |
| C52 | C54 | H34 | 109.5° | 109.5° |
| C52 | C54 | H35 | 109.4° | 109.4° |
| C52 | C54 | H36 | 109.5° | 109.4° |
| C57 | C56 | N19 | 108.7° | 104.8° |
| C56 | C57 | C59 | 106.9° | 101.6° |
| C57 | C56 | H40 | 109.7° | 110.4° |
| C57 | C56 | H41 | 109.7° | 110.4° |
| C56 | C57 | H42 | 111.6° | 111.0° |
| C56 | N19 | C20 | 125.4° | 125.6° |
| C56 | N19 | C18 | 108.0° | 108.7° |
| N19 | C56 | H40 | 109.7° | 110.4° |
| N19 | C56 | H41 | 109.7° | 110.2° |
| C52 | C22 | C20 | 113.7° | 109.5° |
| C22 | C52 | C55 | 113.5° | 109.5° |
| C22 | C52 | C53 | 109.2° | 109.5° |
| C52 | C22 | H14 | 106.3° | 109.4° |
| C22 | C20 | N19 | 119.9° | 120.0° |
| C22 | C20 | O21 | 121.5° | 120.0° |
| C20 | C22 | H14 | 106.3° | 109.5° |
| C57 | C59 | C18 | 106.1° | 102.9° |
| C59 | C57 | H42 | 108.8° | 110.9° |
| C57 | C59 | H43 | 110.3° | 110.7° |
| C57 | C59 | H44 | 110.3° | 110.7° |
| C48 | C47 | N32 | 111.2° | 109.4° |
| C48 | C47 | H25 | 109.0° | 109.5° |
| C48 | C47 | H26 | 109.0° | 109.5° |
| C47 | C48 | H27 | 108.7° | 109.5° |
| C47 | C48 | H28 | 108.7° | 109.4° |
| C55 | C52 | C53 | 109.9° | 109.5° |
| C52 | C55 | H37 | 109.5° | 109.4° |
| C52 | C55 | H38 | 109.5° | 109.5° |
| C52 | C55 | H39 | 109.5° | 109.5° |
| C52 | C53 | H31 | 109.5° | 109.5° |
| C52 | C53 | H32 | 109.4° | 109.5° |
| C52 | C53 | H33 | 109.5° | 109.5° |
| C47 | N32 | C33 | 120.3° | 111.0° |
| N32 | C47 | H25 | 109.0° | 109.5° |
| N32 | C47 | H26 | 109.0° | 109.5° |
| N32 | C33 | C34 | 120.8° | 121.1° |
| N32 | C33 | C46 | 120.1° | 121.1° |
| N35 | C34 | C33 | 120.5° | 120.1° |
| N35 | C34 | N36 | 120.5° | 120.1° |
| C34 | N35 | H47 | 109.5° | 120.0° |
| C34 | N35 | H48 | 109.4° | 120.0° |
| C20 | N19 | C18 | 126.6° | 125.6° |
| N19 | C20 | O21 | 118.6° | 120.0° |
| N19 | C18 | C59 | 106.4° | 107.4° |
| N19 | C18 | C02 | 111.3° | 109.9° |
| N19 | C18 | H13 | 112.2° | 109.9° |
| C59 | C18 | C02 | 109.7° | 109.9° |
| C59 | C18 | H13 | 108.3° | 109.9° |
| C18 | C59 | H43 | 110.3° | 110.8° |
| C18 | C59 | H44 | 110.3° | 110.7° |
| C34 | C33 | C46 | 119.1° | 117.9° |
| C33 | C34 | N36 | 119.0° | 119.8° |
| C33 | C46 | C38 | 119.9° | 117.8° |
| C33 | C46 | H24 | 120.0° | 121.1° |
| C34 | N36 | N37 | 121.6° | 122.3° |
| C18 | C02 | O01 | 119.4° | 120.0° |
| C18 | C02 | N03 | 120.3° | 120.0° |
| C02 | C18 | H13 | 108.8° | 109.9° |
| C46 | C38 | N37 | 118.9° | 119.9° |
| C46 | C38 | C39 | 118.9° | 120.1° |
| C38 | C46 | H24 | 120.0° | 121.1° |
| N36 | N37 | C38 | 121.4° | 122.3° |
| N37 | C38 | C39 | 122.2° | 120.1° |
| C38 | C39 | C40 | 118.7° | 120.1° |
| C38 | C39 | C44 | 121.8° | 120.1° |
| O01 | C02 | N03 | 120.3° | 120.0° |
| C02 | N03 | C04 | 120.6° | 120.0° |
| C02 | N03 | H45 | 119.7° | 120.0° |
| C40 | C39 | C44 | 119.5° | 119.7° |
| C39 | C40 | C41 | 120.5° | 119.9° |
| C39 | C40 | H20 | 119.7° | 120.1° |
| C39 | C44 | O45 | 121.0° | 120.2° |
| C39 | C44 | C43 | 119.7° | 119.8° |
| O45 | C44 | C43 | 119.3° | 120.1° |
| C44 | O45 | H49 | 109.5° | 114.0° |
| C40 | C41 | C42 | 120.1° | 120.2° |
| C41 | C40 | H20 | 119.8° | 120.0° |
| C40 | C41 | H21 | 120.0° | 119.8° |
| N03 | C04 | C05 | 109.8° | 109.5° |
| N03 | C04 | C17 | 110.1° | 109.4° |
| N03 | C04 | H1 | 109.4° | 109.5° |
| C04 | N03 | H45 | 119.7° | 120.1° |
| C44 | C43 | C42 | 120.6° | 120.0° |
| C44 | C43 | H23 | 119.7° | 120.0° |
| C41 | C42 | C43 | 119.6° | 120.3° |
| C42 | C41 | H21 | 120.0° | 119.9° |
| C41 | C42 | H22 | 120.2° | 119.8° |
| C43 | C42 | H22 | 120.2° | 119.8° |
| C42 | C43 | H23 | 119.7° | 120.0° |
| C05 | C04 | C17 | 110.1° | 109.5° |
| C04 | C05 | C16 | 118.9° | 119.9° |
| C04 | C05 | C06 | 121.3° | 119.9° |
| C05 | C04 | H1 | 108.5° | 109.5° |
| C17 | C04 | H1 | 108.8° | 109.5° |
| C04 | C17 | H10 | 109.5° | 109.4° |
| C04 | C17 | H11 | 109.4° | 109.5° |
| C04 | C17 | H12 | 109.5° | 109.4° |
| C14 | C13 | C09 | 123.3° | 122.9° |
| C14 | C13 | N12 | 120.6° | 122.9° |
| C13 | C14 | H5 | 109.5° | 109.5° |
| C13 | C14 | H6 | 109.5° | 109.5° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C05 | C16 | C15 | 120.2° | 120.1° |
| C16 | C05 | C06 | 119.8° | 120.3° |
| C05 | C16 | H9 | 119.9° | 119.9° |
| C16 | C15 | C08 | 120.3° | 119.9° |
| C16 | C15 | H8 | 119.8° | 120.0° |
| C15 | C16 | H9 | 119.9° | 119.9° |
| C05 | C06 | C07 | 120.0° | 120.1° |
| C05 | C06 | H2 | 120.0° | 119.9° |
| C15 | C08 | C07 | 119.7° | 119.7° |
| C15 | C08 | C09 | 119.5° | 120.1° |
| C08 | C15 | H8 | 119.9° | 120.1° |
| C06 | C07 | C08 | 120.0° | 119.9° |
| C07 | C06 | H2 | 120.0° | 119.9° |
| C06 | C07 | H3 | 120.0° | 120.0° |
| C09 | C13 | N12 | 116.0° | 114.2° |
| C13 | C09 | C08 | 128.4° | 126.1° |
| C13 | C09 | S10 | 104.2° | 107.8° |
| C13 | N12 | C11 | 118.1° | 117.3° |
| C07 | C08 | C09 | 120.8° | 120.1° |
| C08 | C07 | H3 | 120.0° | 120.1° |
| C08 | C09 | S10 | 127.3° | 126.1° |
| C09 | S10 | C11 | 95.5° | 90.4° |
| N12 | C11 | S10 | 106.1° | 110.3° |
| N12 | C11 | H4 | 126.9° | 124.8° |
| S10 | C11 | H4 | 126.9° | 124.9° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.4° |
| H6 | C14 | H7 | 109.5° | 109.4° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H16 | C30 | H17 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.5° |
| H25 | C47 | H26 | 109.5° | 109.5° |
| H27 | C48 | H28 | 109.5° | 109.4° |
| H31 | C53 | H32 | 109.5° | 109.5° |
| H31 | C53 | H33 | 109.5° | 109.5° |
| H32 | C53 | H33 | 109.5° | 109.5° |
| H34 | C54 | H35 | 109.5° | 109.5° |
| H34 | C54 | H36 | 109.5° | 109.5° |
| H35 | C54 | H36 | 109.5° | 109.5° |
| H37 | C55 | H38 | 109.4° | 109.5° |
| H37 | C55 | H39 | 109.5° | 109.4° |
| H38 | C55 | H39 | 109.5° | 109.5° |
| H40 | C56 | H41 | 109.5° | 110.4° |
| H43 | C59 | H44 | 109.5° | 110.7° |
| H47 | N35 | H48 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N49 | C50 | C51 | H29 | 180.0° | 179.0° |
| N49 | C50 | C51 | C26 | 0.2° | 0.6° |
| C50 | N49 | C28 | N29 | 179.8° | 179.4° |
| C50 | N49 | C28 | C27 | 0.0° | 0.6° |
| N49 | C50 | C51 | H30 | 179.8° | 180.0° |
| C51 | C50 | N49 | C28 | 0.0° | 0.9° |
| C50 | C51 | C26 | H30 | 180.0° | 179.4° |
| C50 | C51 | C26 | C27 | 0.4° | 0.0° |
| C50 | C51 | C26 | C24 | 179.6° | 179.7° |
| N49 | C28 | N29 | C27 | 179.8° | 179.9° |
| N49 | C28 | N29 | C30 | 31.5° | 0.0° |
| N49 | C28 | C27 | C26 | 0.2° | 0.1° |
| N49 | C28 | N29 | C48 | 174.1° | 123.8° |
| N49 | C28 | C27 | H15 | 179.8° | 180.0° |
| C28 | N49 | C50 | H29 | 180.0° | 179.9° |
| C51 | C26 | C27 | C28 | 0.4° | 0.3° |
| C51 | C26 | C27 | C24 | 179.3° | 179.7° |
| C51 | C26 | C24 | N23 | 4.5° | 0.3° |
| C51 | C26 | C24 | O25 | 176.6° | 179.7° |
| C51 | C26 | C27 | H15 | 179.6° | 179.7° |
| C26 | C51 | C50 | H29 | 179.8° | 179.6° |
| C28 | N29 | C30 | C48 | 155.9° | 123.9° |
| C28 | N29 | C30 | C31 | 110.3° | 176.8° |
| N29 | C28 | C27 | C26 | 179.6° | 180.0° |
| C28 | N29 | C48 | C47 | 105.6° | 176.8° |
| N29 | C28 | C27 | H15 | 0.4° | 0.1° |
| C28 | N29 | C30 | H16 | 10.3° | 56.8° |
| C28 | N29 | C30 | H17 | 129.0° | 63.2° |
| C28 | N29 | C48 | H27 | 134.0° | 63.2° |
| C28 | N29 | C48 | H28 | 14.9° | 56.8° |
| C27 | C28 | N29 | C30 | 148.7° | 180.0° |
| C28 | C27 | C26 | H15 | 180.0° | 179.9° |
| C28 | C27 | C26 | C24 | 179.7° | 180.0° |
| C27 | C28 | N29 | C48 | 5.7° | 56.2° |
| N29 | C30 | C31 | H16 | 120.6° | 120.0° |
| N29 | C30 | C31 | H17 | 120.6° | 119.9° |
| N29 | C30 | C31 | N32 | 47.1° | 58.4° |
| C30 | N29 | C48 | C47 | 51.4° | 59.3° |
| N29 | C30 | H16 | H17 | 118.0° | 120.0° |
| N29 | C30 | C31 | H18 | 73.7° | 178.4° |
| N29 | C30 | C31 | H19 | 167.8° | 61.6° |
| C30 | N29 | C48 | H27 | 69.1° | 60.7° |
| C30 | N29 | C48 | H28 | 171.8° | 179.3° |
| C31 | C30 | N29 | C48 | 45.6° | 59.3° |
| C30 | C31 | N32 | H18 | 120.7° | 120.0° |
| C30 | C31 | N32 | H19 | 120.8° | 120.0° |
| C30 | C31 | N32 | C47 | 52.1° | 59.3° |
| C30 | C31 | N32 | C33 | 163.4° | 64.5° |
| C31 | C30 | H16 | H17 | 118.1° | 120.1° |
| C30 | C31 | H18 | H19 | 117.7° | 120.0° |
| C27 | C26 | C24 | N23 | 174.8° | 180.0° |
| C27 | C26 | C24 | O25 | 4.2° | 0.0° |
| C27 | C26 | C51 | H30 | 179.6° | 179.4° |
| C26 | C24 | N23 | O25 | 178.9° | 180.0° |
| C26 | C24 | N23 | C22 | 179.1° | 180.0° |
| C24 | C26 | C27 | H15 | 0.3° | 0.1° |
| C24 | C26 | C51 | H30 | 0.4° | 0.3° |
| C26 | C24 | N23 | H46 | 0.8° | 0.0° |
| N29 | C48 | C47 | H27 | 120.5° | 120.0° |
| N29 | C48 | C47 | H28 | 120.4° | 120.0° |
| N29 | C48 | C47 | N32 | 58.1° | 58.4° |
| C48 | N29 | C30 | H16 | 166.3° | 179.3° |
| C48 | N29 | C30 | H17 | 75.0° | 60.7° |
| N29 | C48 | C47 | H25 | 178.4° | 61.6° |
| N29 | C48 | C47 | H26 | 62.1° | 178.4° |
| N29 | C48 | H27 | H28 | 118.6° | 120.1° |
| C24 | N23 | C22 | H46 | 180.0° | 180.0° |
| C24 | N23 | C22 | C52 | 95.4° | 85.0° |
| C24 | N23 | C22 | C20 | 32.5° | 155.0° |
| C24 | N23 | C22 | H14 | 149.6° | 35.0° |
| N23 | C22 | C52 | C54 | 57.7° | 60.4° |
| C22 | N23 | C24 | O25 | 0.3° | 0.0° |
| N23 | C22 | C52 | C20 | 127.7° | 120.0° |
| N23 | C22 | C52 | H14 | 115.8° | 120.0° |
| N23 | C22 | C20 | H14 | 117.9° | 120.1° |
| N23 | C22 | C52 | C55 | 60.7° | 179.7° |
| N23 | C22 | C52 | C53 | 176.4° | 59.7° |
| N23 | C22 | C20 | N19 | 89.9° | 145.2° |
| N23 | C22 | C20 | O21 | 89.1° | 34.7° |
| O58 | C57 | C56 | C59 | 118.6° | 118.2° |
| O58 | C57 | C56 | H42 | 122.6° | 123.8° |
| O58 | C57 | C56 | N19 | 125.8° | 155.1° |
| O58 | C57 | C59 | H42 | 120.3° | 123.8° |
| O58 | C57 | C59 | C18 | 115.1° | 153.5° |
| O58 | C57 | C56 | H40 | 114.3° | 86.0° |
| O58 | C57 | C56 | H41 | 5.9° | 36.4° |
| O58 | C57 | C59 | H43 | 4.4° | 88.1° |
| O58 | C57 | C59 | H44 | 125.4° | 35.2° |
| C31 | N32 | C47 | C48 | 56.8° | 59.3° |
| C31 | N32 | C47 | C33 | 144.2° | 123.8° |
| C31 | N32 | C33 | C34 | 82.2° | 118.3° |
| C31 | N32 | C33 | C46 | 97.5° | 62.0° |
| N32 | C31 | C30 | H16 | 167.7° | 178.3° |
| N32 | C31 | C30 | H17 | 73.6° | 61.5° |
| N32 | C31 | H18 | H19 | 117.7° | 120.0° |
| C31 | N32 | C47 | H25 | 177.1° | 60.7° |
| C31 | N32 | C47 | H26 | 63.5° | 179.3° |
| C54 | C52 | C22 | C55 | 118.4° | 119.9° |
| C54 | C52 | C22 | C53 | 118.7° | 120.1° |
| C54 | C52 | C22 | C20 | 174.6° | 59.6° |
| C54 | C52 | C55 | C53 | 117.5° | 120.0° |
| C54 | C52 | C22 | H14 | 58.1° | 179.6° |
| C54 | C52 | C53 | H31 | 180.0° | 60.0° |
| C54 | C52 | C53 | H32 | 60.0° | 60.0° |
| C54 | C52 | C53 | H33 | 60.0° | 180.0° |
| C52 | C54 | H34 | H35 | 120.0° | 120.0° |
| C52 | C54 | H34 | H36 | 120.0° | 120.0° |
| C52 | C54 | H35 | H36 | 120.0° | 119.9° |
| C54 | C52 | C55 | H37 | 180.0° | 175.3° |
| C54 | C52 | C55 | H38 | 60.0° | 55.3° |
| C54 | C52 | C55 | H39 | 60.0° | 64.8° |
| O25 | C24 | N23 | H46 | 179.7° | 180.0° |
| C57 | C56 | N19 | H40 | 119.9° | 118.9° |
| C57 | C56 | N19 | H41 | 119.9° | 118.8° |
| C56 | C57 | C59 | H42 | 120.7° | 118.1° |
| C57 | C56 | N19 | C20 | 162.0° | 155.8° |
| C57 | C56 | N19 | C18 | 18.5° | 24.0° |
| C56 | C57 | C59 | C18 | 4.0° | 35.4° |
| C57 | C56 | H40 | H41 | 120.4° | 122.4° |
| C56 | C57 | C59 | H43 | 123.5° | 153.8° |
| C56 | C57 | C59 | H44 | 115.5° | 82.9° |
| C56 | C57 | O58 | H50 | 180.0° | 61.4° |
| C56 | N19 | C20 | C22 | 0.3° | 5.3° |
| N19 | C56 | C57 | C59 | 7.2° | 36.9° |
| C56 | N19 | C20 | C18 | 179.4° | 179.8° |
| C56 | N19 | C20 | O21 | 179.3° | 174.7° |
| C56 | N19 | C18 | C59 | 19.8° | 1.0° |
| C56 | N19 | C18 | C02 | 139.2° | 120.5° |
| C56 | N19 | C18 | H13 | 98.6° | 118.5° |
| N19 | C56 | H40 | H41 | 120.4° | 122.2° |
| N19 | C56 | C57 | H42 | 111.6° | 81.1° |
| C52 | C22 | C20 | H14 | 116.6° | 119.9° |
| C22 | C52 | C55 | C53 | 122.5° | 120.0° |
| C52 | C22 | C20 | N19 | 144.6° | 94.8° |
| C52 | C22 | C20 | O21 | 36.4° | 85.2° |
| C22 | C52 | C53 | H31 | 61.1° | 60.1° |
| C22 | C52 | C53 | H32 | 58.9° | 180.0° |
| C22 | C52 | C53 | H33 | 178.9° | 59.9° |
| C22 | C52 | C54 | H34 | 180.0° | 60.0° |
| C22 | C52 | C54 | H35 | 60.0° | 180.0° |
| C22 | C52 | C54 | H36 | 60.0° | 60.0° |
| C22 | C52 | C55 | H37 | 60.1° | 64.8° |
| C22 | C52 | C55 | H38 | 180.0° | 175.3° |
| C22 | C52 | C55 | H39 | 60.0° | 55.2° |
| C52 | C22 | N23 | H46 | 84.6° | 95.0° |
| C20 | C22 | C52 | C55 | 67.0° | 60.3° |
| C20 | C22 | C52 | C53 | 56.0° | 179.7° |
| C22 | C20 | N19 | O21 | 179.0° | 180.0° |
| C22 | C20 | N19 | C18 | 179.1° | 174.5° |
| C20 | C22 | N23 | H46 | 147.5° | 25.0° |
| C57 | C59 | C18 | N19 | 16.0° | 22.2° |
| C57 | C59 | C18 | H43 | 119.5° | 118.4° |
| C57 | C59 | C18 | H44 | 119.5° | 118.4° |
| C57 | C59 | C18 | C02 | 136.4° | 97.2° |
| C57 | C59 | C18 | H13 | 104.9° | 141.8° |
| C59 | C57 | C56 | H40 | 127.0° | 155.8° |
| C59 | C57 | C56 | H41 | 112.7° | 81.8° |
| C57 | C59 | H43 | H44 | 121.6° | 123.2° |
| C59 | C57 | O58 | H50 | 62.9° | 173.7° |
| C48 | C47 | N32 | H25 | 120.3° | 120.0° |
| C48 | C47 | N32 | H26 | 120.3° | 120.0° |
| C48 | C47 | N32 | C33 | 159.0° | 64.5° |
| C48 | C47 | H25 | H26 | 119.2° | 120.1° |
| C47 | C48 | H27 | H28 | 118.6° | 120.0° |
| C55 | C52 | C22 | H14 | 176.5° | 59.7° |
| C55 | C52 | C53 | H31 | 64.0° | 180.0° |
| C55 | C52 | C53 | H32 | 176.0° | 60.0° |
| C55 | C52 | C53 | H33 | 56.1° | 60.0° |
| C55 | C52 | C54 | H34 | 57.2° | 60.0° |
| C55 | C52 | C54 | H35 | 177.2° | 60.0° |
| C55 | C52 | C54 | H36 | 62.8° | 180.0° |
| C52 | C55 | H37 | H38 | 120.0° | 120.0° |
| C52 | C55 | H37 | H39 | 120.0° | 120.0° |
| C52 | C55 | H38 | H39 | 120.0° | 120.0° |
| C53 | C52 | C22 | H14 | 60.6° | 60.3° |
| C52 | C53 | H31 | H32 | 120.0° | 120.0° |
| C52 | C53 | H31 | H33 | 120.0° | 120.0° |
| C52 | C53 | H32 | H33 | 120.0° | 120.0° |
| C53 | C52 | C54 | H34 | 61.1° | 180.0° |
| C53 | C52 | C54 | H35 | 58.9° | 60.0° |
| C53 | C52 | C54 | H36 | 178.9° | 60.0° |
| C53 | C52 | C55 | H37 | 62.5° | 55.2° |
| C53 | C52 | C55 | H38 | 57.5° | 64.7° |
| C53 | C52 | C55 | H39 | 177.5° | 175.2° |
| C47 | N32 | C33 | C34 | 137.2° | 118.0° |
| C47 | N32 | C33 | C46 | 43.1° | 61.7° |
| C47 | N32 | C31 | H18 | 68.6° | 179.3° |
| C47 | N32 | C31 | H19 | 172.8° | 60.7° |
| N32 | C47 | H25 | H26 | 119.2° | 120.1° |
| N32 | C47 | C48 | H27 | 62.3° | 61.6° |
| N32 | C47 | C48 | H28 | 178.6° | 178.4° |
| N32 | C33 | C34 | N35 | 0.2° | 0.2° |
| N32 | C33 | C34 | C46 | 179.6° | 179.7° |
| N32 | C33 | C34 | N36 | 179.9° | 179.7° |
| N32 | C33 | C46 | C38 | 179.8° | 179.7° |
| C33 | N32 | C31 | H18 | 75.9° | 55.5° |
| C33 | N32 | C31 | H19 | 42.6° | 175.5° |
| N32 | C33 | C46 | H24 | 0.2° | 0.3° |
| C33 | N32 | C47 | H25 | 38.7° | 175.5° |
| C33 | N32 | C47 | H26 | 80.8° | 55.5° |
| N35 | C34 | C33 | N36 | 179.8° | 179.9° |
| N35 | C34 | C33 | C46 | 179.9° | 179.9° |
| N35 | C34 | N36 | N37 | 180.0° | 180.0° |
| C34 | N35 | H47 | H48 | 120.0° | 179.9° |
| C20 | N19 | C18 | C59 | 160.8° | 178.8° |
| C20 | N19 | C18 | C02 | 41.3° | 59.4° |
| C20 | N19 | C18 | H13 | 80.9° | 61.7° |
| N19 | C20 | C22 | H14 | 28.0° | 25.1° |
| C20 | N19 | C56 | H40 | 42.2° | 36.9° |
| C20 | N19 | C56 | H41 | 78.1° | 85.4° |
| C18 | N19 | C20 | O21 | 0.0° | 5.5° |
| N19 | C18 | C59 | C02 | 120.5° | 119.5° |
| N19 | C18 | C59 | H13 | 120.9° | 119.5° |
| N19 | C18 | C02 | H13 | 124.2° | 121.1° |
| N19 | C18 | C02 | O01 | 41.4° | 0.3° |
| N19 | C18 | C02 | N03 | 137.3° | 179.4° |
| C18 | N19 | C56 | H40 | 138.4° | 142.9° |
| C18 | N19 | C56 | H41 | 101.4° | 94.8° |
| N19 | C18 | C59 | H43 | 135.5° | 140.6° |
| N19 | C18 | C59 | H44 | 103.5° | 96.1° |
| O21 | C20 | C22 | H14 | 153.0° | 154.8° |
| C59 | C18 | C02 | H13 | 118.3° | 121.0° |
| C59 | C18 | C02 | O01 | 76.0° | 118.3° |
| C59 | C18 | C02 | N03 | 105.3° | 61.4° |
| C18 | C59 | C57 | H42 | 124.6° | 82.7° |
| C18 | C59 | H43 | H44 | 121.5° | 123.2° |
| C34 | C33 | C46 | C38 | 0.1° | 0.0° |
| C33 | C34 | N36 | N37 | 0.1° | 0.1° |
| C34 | C33 | C46 | H24 | 179.9° | 180.0° |
| C33 | C34 | N35 | H47 | 179.8° | 0.1° |
| C33 | C34 | N35 | H48 | 60.2° | 180.0° |
| C46 | C33 | C34 | N36 | 0.3° | 0.0° |
| C33 | C46 | C38 | H24 | 180.0° | 179.9° |
| C33 | C46 | C38 | N37 | 0.2° | 0.1° |
| C33 | C46 | C38 | C39 | 179.7° | 180.0° |
| C34 | N36 | N37 | C38 | 0.2° | 0.2° |
| N36 | C34 | N35 | H47 | 0.0° | 180.0° |
| N36 | C34 | N35 | H48 | 120.0° | 0.1° |
| C18 | C02 | O01 | N03 | 178.7° | 179.7° |
| C18 | C02 | N03 | C04 | 179.6° | 179.7° |
| C02 | C18 | C59 | H43 | 104.1° | 21.2° |
| C02 | C18 | C59 | H44 | 17.0° | 144.4° |
| C18 | C02 | N03 | H45 | 0.4° | 0.3° |
| C46 | C38 | N37 | N36 | 0.4° | 0.1° |
| C46 | C38 | N37 | C39 | 179.4° | 179.9° |
| C46 | C38 | C39 | C40 | 27.4° | 0.0° |
| C46 | C38 | C39 | C44 | 152.4° | 179.7° |
| N36 | N37 | C38 | C39 | 179.8° | 179.9° |
| N37 | C38 | C39 | C40 | 152.0° | 179.9° |
| N37 | C38 | C39 | C44 | 28.1° | 0.2° |
| N37 | C38 | C46 | H24 | 179.8° | 180.0° |
| C38 | C39 | C40 | C44 | 179.8° | 179.8° |
| C38 | C39 | C44 | O45 | 0.0° | 0.0° |
| C38 | C39 | C40 | C41 | 179.9° | 180.0° |
| C38 | C39 | C44 | C43 | 180.0° | 179.7° |
| C38 | C39 | C40 | H20 | 0.1° | 0.0° |
| C39 | C38 | C46 | H24 | 0.3° | 0.1° |
| O01 | C02 | N03 | C04 | 0.9° | 0.0° |
| O01 | C02 | C18 | H13 | 165.6° | 120.7° |
| O01 | C02 | N03 | H45 | 179.1° | 180.0° |
| C02 | N03 | C04 | H45 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 79.2° | 155.0° |
| C02 | N03 | C04 | C17 | 159.3° | 85.0° |
| C02 | N03 | C04 | H1 | 39.8° | 35.0° |
| N03 | C02 | C18 | H13 | 13.1° | 59.6° |
| C40 | C39 | C44 | O45 | 179.9° | 179.7° |
| C39 | C40 | C41 | H20 | 180.0° | 180.0° |
| C40 | C39 | C44 | C43 | 0.1° | 0.6° |
| C39 | C40 | C41 | C42 | 0.2° | 0.0° |
| C39 | C40 | C41 | H21 | 179.8° | 180.0° |
| C39 | C44 | O45 | C43 | 180.0° | 179.7° |
| C44 | C39 | C40 | C41 | 0.1° | 0.3° |
| C39 | C44 | C43 | C42 | 0.0° | 0.6° |
| C44 | C39 | C40 | H20 | 180.0° | 179.7° |
| C39 | C44 | C43 | H23 | 180.0° | 179.7° |
| C39 | C44 | O45 | H49 | 180.0° | 89.9° |
| O45 | C44 | C43 | C42 | 180.0° | 179.7° |
| O45 | C44 | C43 | H23 | 0.0° | 0.1° |
| C40 | C41 | C42 | H21 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.3° | 0.0° |
| C40 | C41 | C42 | H22 | 179.7° | 179.9° |
| N03 | C04 | C05 | C17 | 121.4° | 120.0° |
| N03 | C04 | C05 | H1 | 119.5° | 120.0° |
| N03 | C04 | C17 | H1 | 119.9° | 120.0° |
| N03 | C04 | C05 | C16 | 82.4° | 40.3° |
| N03 | C04 | C05 | C06 | 97.8° | 140.0° |
| N03 | C04 | C17 | H10 | 180.0° | 60.1° |
| N03 | C04 | C17 | H11 | 60.0° | 60.0° |
| N03 | C04 | C17 | H12 | 60.0° | 180.0° |
| C44 | C43 | C42 | C41 | 0.2° | 0.3° |
| C44 | C43 | C42 | H23 | 180.0° | 179.8° |
| C44 | C43 | C42 | H22 | 179.7° | 179.7° |
| C43 | C44 | O45 | H49 | 0.0° | 89.8° |
| C41 | C42 | C43 | H22 | 180.0° | 179.9° |
| C42 | C41 | C40 | H20 | 179.8° | 180.0° |
| C41 | C42 | C43 | H23 | 179.8° | 179.9° |
| C43 | C42 | C41 | H21 | 179.7° | 180.0° |
| C05 | C04 | C17 | H1 | 118.9° | 120.0° |
| C04 | C05 | C16 | C06 | 179.8° | 179.7° |
| C04 | C05 | C16 | C15 | 179.9° | 179.8° |
| C04 | C05 | C06 | C07 | 180.0° | 180.0° |
| C04 | C05 | C06 | H2 | 0.0° | 0.0° |
| C04 | C05 | C16 | H9 | 0.2° | 0.0° |
| C05 | C04 | C17 | H10 | 58.7° | 180.0° |
| C05 | C04 | C17 | H11 | 178.7° | 60.0° |
| C05 | C04 | C17 | H12 | 61.2° | 60.0° |
| C05 | C04 | N03 | H45 | 100.8° | 25.0° |
| C17 | C04 | C05 | C16 | 156.3° | 79.7° |
| C17 | C04 | C05 | C06 | 23.6° | 100.0° |
| C04 | C17 | H10 | H11 | 120.0° | 120.0° |
| C04 | C17 | H10 | H12 | 120.0° | 119.9° |
| C04 | C17 | H11 | H12 | 120.0° | 119.9° |
| C17 | C04 | N03 | H45 | 20.7° | 95.0° |
| C14 | C13 | C09 | N12 | 179.9° | 180.0° |
| C14 | C13 | C09 | C08 | 0.2° | 0.0° |
| C14 | C13 | C09 | S10 | 180.0° | 179.7° |
| C14 | C13 | N12 | C11 | 179.9° | 180.0° |
| C13 | C14 | H5 | H6 | 120.0° | 120.0° |
| C13 | C14 | H5 | H7 | 120.0° | 120.0° |
| C13 | C14 | H6 | H7 | 120.0° | 120.0° |
| C05 | C16 | C15 | H9 | 180.0° | 179.8° |
| C05 | C16 | C15 | C08 | 0.3° | 0.5° |
| C16 | C05 | C06 | C07 | 0.1° | 0.3° |
| C16 | C05 | C04 | H1 | 37.2° | 160.3° |
| C16 | C05 | C06 | H2 | 179.9° | 179.7° |
| C05 | C16 | C15 | H8 | 179.7° | 179.7° |
| C15 | C16 | C05 | C06 | 0.0° | 0.6° |
| C16 | C15 | C08 | H8 | 180.0° | 179.8° |
| C16 | C15 | C08 | C07 | 0.5° | 0.2° |
| C16 | C15 | C08 | C09 | 179.7° | 179.7° |
| C05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.1° | 0.1° |
| C06 | C05 | C04 | H1 | 142.6° | 20.0° |
| C05 | C06 | C07 | H3 | 179.9° | 179.9° |
| C06 | C05 | C16 | H9 | 180.0° | 179.7° |
| C15 | C08 | C07 | C06 | 0.4° | 0.0° |
| C15 | C08 | C09 | C13 | 61.0° | 47.4° |
| C15 | C08 | C07 | C09 | 179.8° | 179.9° |
| C15 | C08 | C09 | S10 | 118.7° | 132.2° |
| C15 | C08 | C07 | H3 | 179.6° | 180.0° |
| C08 | C15 | C16 | H9 | 179.7° | 179.7° |
| C06 | C07 | C08 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 179.8° | 179.9° |
| C13 | C09 | C08 | C07 | 119.2° | 132.5° |
| C13 | C09 | C08 | S10 | 179.7° | 179.7° |
| C09 | C13 | N12 | C11 | 0.0° | 0.0° |
| C13 | C09 | S10 | C11 | 0.1° | 0.4° |
| C09 | C13 | C14 | H5 | 179.9° | 94.5° |
| C09 | C13 | C14 | H6 | 59.9° | 145.5° |
| C09 | C13 | C14 | H7 | 60.1° | 25.5° |
| N12 | C13 | C09 | C08 | 179.8° | 180.0° |
| N12 | C13 | C09 | S10 | 0.1° | 0.3° |
| C13 | N12 | C11 | S10 | 0.1° | 0.3° |
| C13 | N12 | C11 | H4 | 179.9° | 179.9° |
| N12 | C13 | C14 | H5 | 0.0° | 85.5° |
| N12 | C13 | C14 | H6 | 120.0° | 34.6° |
| N12 | C13 | C14 | H7 | 120.0° | 154.5° |
| C07 | C08 | C09 | S10 | 61.1° | 47.9° |
| C08 | C07 | C06 | H2 | 179.9° | 180.0° |
| C07 | C08 | C15 | H8 | 179.5° | 180.0° |
| C08 | C09 | S10 | C11 | 179.9° | 179.9° |
| C09 | C08 | C07 | H3 | 0.2° | 0.1° |
| C09 | C08 | C15 | H8 | 0.3° | 0.1° |
| C09 | S10 | C11 | N12 | 0.1° | 0.4° |
| C09 | S10 | C11 | H4 | 179.9° | 180.0° |
| N12 | C11 | S10 | H4 | 180.0° | 179.6° |
| H1 | C04 | C17 | H10 | 60.1° | 60.0° |
| H1 | C04 | C17 | H11 | 59.9° | NaN° |
| H1 | C04 | C17 | H12 | 179.9° | 60.0° |
| H1 | C04 | N03 | H45 | 140.2° | 145.0° |
| H2 | C06 | C07 | H3 | 0.1° | 0.0° |
| H5 | C14 | H6 | H7 | 120.0° | 119.9° |
| H8 | C15 | C16 | H9 | 0.3° | 0.1° |
| H10 | C17 | H11 | H12 | 120.0° | 120.1° |
| H13 | C18 | C59 | H43 | 14.6° | 99.8° |
| H13 | C18 | C59 | H44 | 135.6° | 23.4° |
| H14 | C22 | N23 | H46 | 30.4° | 145.0° |
| H16 | C30 | C31 | H18 | 47.0° | 61.7° |
| H16 | C30 | C31 | H19 | 71.5° | 58.4° |
| H17 | C30 | C31 | H18 | 165.7° | 58.5° |
| H17 | C30 | C31 | H19 | 47.2° | 178.5° |
| H20 | C40 | C41 | H21 | 0.2° | 0.0° |
| H21 | C41 | C42 | H22 | 0.3° | 0.1° |
| H22 | C42 | C43 | H23 | 0.3° | 0.0° |
| H25 | C47 | C48 | H27 | 57.9° | 178.4° |
| H25 | C47 | C48 | H28 | 61.2° | 58.4° |
| H26 | C47 | C48 | H27 | 177.4° | 58.3° |
| H26 | C47 | C48 | H28 | 58.3° | 61.6° |
| H29 | C50 | C51 | H30 | 0.2° | 1.0° |
| H31 | C53 | H32 | H33 | 120.0° | 120.0° |
| H34 | C54 | H35 | H36 | 120.0° | 120.1° |
| H37 | C55 | H38 | H39 | 120.0° | 120.0° |
| H40 | C56 | C57 | H42 | 8.2° | 37.8° |
| H41 | C56 | C57 | H42 | 128.5° | 160.2° |
| H42 | C57 | C59 | H43 | 115.9° | 35.8° |
| H42 | C57 | C59 | H44 | 5.2° | 159.0° |
| H42 | C57 | O58 | H50 | 56.5° | 62.5° |
