UK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.47Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.45Å | Aromatic |
| C01 | C08 | sing | 1.51Å | 1.64Å | |
| C02 | C03 | sing | 1.39Å | 1.44Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.45Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.45Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.46Å | Aromatic |
| C05 | C09 | sing | 1.51Å | 1.64Å | |
| C06 | F10 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C16 | sing | 1.51Å | 1.55Å | |
| C12 | N11 | doub | 1.30Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.45Å | Aromatic |
| C13 | C19 | sing | 1.51Å | 1.53Å | |
| C14 | N07 | sing | 1.36Å | 1.44Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.63Å | |
| C17 | N18 | sing | 1.47Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | N18 | sing | 1.47Å | 1.54Å | |
| C21 | C23 | sing | 1.47Å | 1.59Å | |
| C21 | N18 | sing | 1.35Å | 1.43Å | |
| C21 | O22 | doub | 1.22Å | 1.25Å | |
| C23 | C27 | doub | 1.36Å | 1.40Å | Aromatic |
| C23 | N24 | sing | 1.38Å | 1.46Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | C29 | sing | 1.39Å | 1.52Å | Aromatic |
| C25 | N24 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C27 | sing | 1.42Å | 1.51Å | Aromatic |
| C26 | C32 | sing | 1.40Å | 1.53Å | Aromatic |
| C28 | C57 | sing | 1.53Å | 1.59Å | |
| C28 | C60 | sing | 1.51Å | 1.67Å | |
| C28 | N24 | sing | 1.46Å | 1.51Å | |
| C29 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.52Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | N33 | sing | 1.40Å | 1.60Å | |
| C34 | C35 | sing | 1.53Å | 1.58Å | |
| C34 | N33 | sing | 1.47Å | 1.53Å | |
| C35 | O36 | sing | 1.43Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.59Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | C40 | sing | 1.53Å | 1.57Å | |
| C37 | O36 | sing | 1.43Å | 1.41Å | |
| C38 | N33 | sing | 1.47Å | 1.50Å | |
| C41 | C42 | doub | 1.33Å | 1.41Å | |
| C41 | N15 | sing | 1.39Å | 1.48Å | |
| C42 | N43 | sing | 1.39Å | 1.49Å | |
| C44 | N15 | sing | 1.35Å | 1.44Å | |
| C44 | N43 | sing | 1.35Å | 1.42Å | |
| C44 | O45 | doub | 1.22Å | 1.23Å | |
| C46 | C47 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C51 | sing | 1.39Å | 1.55Å | Aromatic |
| C46 | N43 | sing | 1.40Å | 1.63Å | |
| C47 | C48 | sing | 1.40Å | 1.53Å | Aromatic |
| C47 | F55 | sing | 1.35Å | 1.36Å | |
| C48 | C49 | doub | 1.41Å | 1.41Å | Aromatic |
| C48 | C52 | sing | 1.46Å | 1.50Å | Aromatic |
| C49 | C50 | sing | 1.39Å | 1.50Å | Aromatic |
| C49 | N54 | sing | 1.37Å | 1.46Å | Aromatic |
| C50 | C51 | doub | 1.36Å | 1.39Å | Aromatic |
| C52 | N53 | doub | 1.30Å | 1.38Å | Aromatic |
| C56 | N54 | sing | 1.47Å | 1.53Å | |
| C57 | C58 | sing | 1.53Å | 1.43Å | |
| C58 | C59 | sing | 1.53Å | 1.48Å | |
| C60 | N61 | doub | 1.29Å | 1.34Å | |
| C60 | N64 | sing | 1.38Å | 1.43Å | |
| C63 | N64 | sing | 1.36Å | 1.40Å | |
| C63 | O62 | sing | 1.34Å | 1.35Å | |
| C63 | O65 | doub | 1.22Å | 1.22Å | |
| N07 | N11 | sing | 1.40Å | 1.44Å | Aromatic |
| N53 | N54 | sing | 1.40Å | 1.40Å | Aromatic |
| N61 | O62 | sing | 1.21Å | 1.35Å | |
| N07 | C03 | sing | 1.40Å | 1.72Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.08Å | 1.08Å | |
| C42 | H35 | sing | 1.08Å | 1.08Å | |
| C50 | H36 | sing | 1.08Å | 1.08Å | |
| C51 | H37 | sing | 1.08Å | 1.08Å | |
| C52 | H38 | sing | 1.08Å | 1.08Å | |
| C56 | 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 | |
| C57 | H43 | sing | 1.09Å | 1.10Å | |
| C58 | H44 | sing | 1.09Å | 1.10Å | |
| C58 | H45 | sing | 1.09Å | 1.10Å | |
| C59 | H46 | sing | 1.09Å | 1.10Å | |
| C59 | H47 | sing | 1.09Å | 1.10Å | |
| C59 | H48 | sing | 1.09Å | 1.10Å | |
| N64 | H49 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 117.9° | 120.0° |
| C02 | C01 | C08 | 120.2° | 120.0° |
| C01 | C02 | C03 | 122.2° | 120.0° |
| C01 | C02 | H1 | 118.9° | 120.0° |
| C06 | C01 | C08 | 121.9° | 120.0° |
| C01 | C06 | C05 | 121.8° | 120.1° |
| C01 | C06 | F10 | 119.2° | 119.9° |
| C01 | C08 | H3 | 109.5° | 109.5° |
| C01 | C08 | H4 | 109.5° | 109.4° |
| C01 | C08 | H5 | 109.5° | 109.5° |
| C02 | C03 | C04 | 117.7° | 119.9° |
| C02 | C03 | N07 | 123.1° | 120.0° |
| C03 | C02 | H1 | 118.9° | 120.0° |
| C03 | C04 | C05 | 122.9° | 120.0° |
| C04 | C03 | N07 | 119.1° | 120.1° |
| C03 | C04 | H2 | 118.6° | 120.0° |
| C04 | C05 | C06 | 117.6° | 120.0° |
| C04 | C05 | C09 | 120.2° | 120.0° |
| C05 | C04 | H2 | 118.5° | 120.0° |
| C06 | C05 | C09 | 122.2° | 120.0° |
| C05 | C06 | F10 | 119.0° | 120.0° |
| C05 | C09 | H6 | 109.5° | 109.5° |
| C05 | C09 | H7 | 109.5° | 109.5° |
| C05 | C09 | H8 | 109.5° | 109.5° |
| C13 | C12 | C16 | 121.0° | 123.9° |
| C13 | C12 | N11 | 108.7° | 108.3° |
| C12 | C13 | C14 | 108.0° | 108.2° |
| C12 | C13 | C19 | 120.2° | 123.4° |
| C16 | C12 | N11 | 130.3° | 127.9° |
| C12 | C16 | C17 | 112.9° | 108.7° |
| C12 | C16 | H9 | 108.6° | 109.6° |
| C12 | C16 | H10 | 108.6° | 109.7° |
| C12 | N11 | N07 | 108.5° | 108.4° |
| C14 | C13 | C19 | 131.8° | 128.4° |
| C13 | C14 | N07 | 106.7° | 107.2° |
| C13 | C14 | N15 | 132.6° | 126.4° |
| C13 | C19 | C20 | 106.1° | 109.9° |
| C13 | C19 | N18 | 117.3° | 107.1° |
| C13 | C19 | H13 | 107.7° | 109.9° |
| N07 | C14 | N15 | 120.5° | 126.4° |
| C14 | N07 | N11 | 108.0° | 107.9° |
| C14 | N07 | C03 | 126.0° | 126.1° |
| C14 | N15 | C41 | 130.1° | 126.0° |
| C14 | N15 | C44 | 128.0° | 126.0° |
| C16 | C17 | N18 | 112.1° | 109.5° |
| C17 | C16 | H9 | 108.6° | 109.6° |
| C17 | C16 | H10 | 108.6° | 109.6° |
| C16 | C17 | H11 | 108.8° | 109.4° |
| C16 | C17 | H12 | 108.8° | 109.4° |
| C17 | N18 | C19 | 109.3° | 118.6° |
| C17 | N18 | C21 | 127.9° | 120.7° |
| N18 | C17 | H11 | 108.8° | 109.5° |
| N18 | C17 | H12 | 108.8° | 109.5° |
| C20 | C19 | N18 | 110.1° | 109.9° |
| C20 | C19 | H13 | 107.6° | 109.9° |
| C19 | C20 | H14 | 109.5° | 109.5° |
| C19 | C20 | H15 | 109.5° | 109.4° |
| C19 | C20 | H16 | 109.5° | 109.5° |
| C19 | N18 | C21 | 122.7° | 120.7° |
| N18 | C19 | H13 | 107.7° | 110.0° |
| C23 | C21 | N18 | 124.8° | 120.0° |
| C23 | C21 | O22 | 115.0° | 120.0° |
| C21 | C23 | C27 | 125.9° | 125.4° |
| C21 | C23 | N24 | 125.3° | 125.4° |
| N18 | C21 | O22 | 120.2° | 120.0° |
| C27 | C23 | N24 | 108.8° | 109.1° |
| C23 | C27 | C26 | 109.6° | 107.7° |
| C23 | C27 | H17 | 125.2° | 126.2° |
| C23 | N24 | C25 | 106.0° | 108.7° |
| C23 | N24 | C28 | 119.9° | 125.6° |
| C26 | C25 | C29 | 116.7° | 119.7° |
| C26 | C25 | N24 | 108.9° | 107.4° |
| C25 | C26 | C27 | 106.8° | 107.0° |
| C25 | C26 | C32 | 120.1° | 119.8° |
| C29 | C25 | N24 | 134.5° | 133.0° |
| C25 | C29 | C30 | 122.4° | 120.0° |
| C25 | C29 | H19 | 118.8° | 120.0° |
| C25 | N24 | C28 | 134.1° | 125.6° |
| C27 | C26 | C32 | 133.1° | 133.3° |
| C26 | C27 | H17 | 125.2° | 126.1° |
| C26 | C32 | C31 | 123.0° | 119.6° |
| C26 | C32 | H21 | 118.5° | 120.2° |
| C57 | C28 | C60 | 123.7° | 109.5° |
| C57 | C28 | N24 | 104.5° | 109.5° |
| C28 | C57 | C58 | 70.0° | 109.4° |
| C57 | C28 | H18 | 102.9° | 109.5° |
| C28 | C57 | H42 | 118.2° | 109.5° |
| C28 | C57 | H43 | 118.2° | 109.5° |
| C60 | C28 | N24 | 117.0° | 109.4° |
| C28 | C60 | N61 | 131.0° | 126.4° |
| C28 | C60 | N64 | 123.1° | 126.4° |
| C60 | C28 | H18 | 102.3° | 109.5° |
| N24 | C28 | H18 | 103.7° | 109.5° |
| C29 | C30 | C31 | 121.4° | 120.6° |
| C30 | C29 | H19 | 118.8° | 120.0° |
| C29 | C30 | H20 | 119.3° | 119.7° |
| C30 | C31 | C32 | 116.3° | 120.3° |
| C30 | C31 | N33 | 122.3° | 119.8° |
| C31 | C30 | H20 | 119.3° | 119.7° |
| C32 | C31 | N33 | 121.4° | 119.9° |
| C31 | C32 | H21 | 118.5° | 120.1° |
| C31 | N33 | C34 | 118.2° | 111.0° |
| C31 | N33 | C38 | 118.9° | 111.0° |
| C35 | C34 | N33 | 113.8° | 109.3° |
| C34 | C35 | O36 | 111.0° | 109.3° |
| C35 | C34 | H22 | 108.4° | 109.5° |
| C35 | C34 | H23 | 108.4° | 109.5° |
| C34 | C35 | H24 | 109.1° | 109.5° |
| C34 | C35 | H25 | 109.1° | 109.6° |
| C34 | N33 | C38 | 102.5° | 110.7° |
| N33 | C34 | H22 | 108.4° | 109.5° |
| N33 | C34 | H23 | 108.4° | 109.5° |
| C35 | O36 | C37 | 113.4° | 113.7° |
| O36 | C35 | H24 | 109.1° | 109.5° |
| O36 | C35 | H25 | 109.1° | 109.5° |
| C38 | C37 | C39 | 111.0° | 109.5° |
| C38 | C37 | C40 | 107.4° | 109.5° |
| C38 | C37 | O36 | 109.7° | 109.3° |
| C37 | C38 | N33 | 114.0° | 109.3° |
| C37 | C38 | H26 | 108.3° | 109.5° |
| C37 | C38 | H27 | 108.3° | 109.5° |
| C39 | C37 | C40 | 110.5° | 109.5° |
| C39 | C37 | O36 | 110.2° | 109.5° |
| C37 | C39 | H28 | 109.5° | 109.5° |
| C37 | C39 | H29 | 109.4° | 109.5° |
| C37 | C39 | H30 | 109.5° | 109.5° |
| C40 | C37 | O36 | 108.0° | 109.5° |
| C37 | C40 | H31 | 109.5° | 109.5° |
| C37 | C40 | H32 | 109.5° | 109.5° |
| C37 | C40 | H33 | 109.5° | 109.5° |
| N33 | C38 | H26 | 108.3° | 109.5° |
| N33 | C38 | H27 | 108.3° | 109.5° |
| C42 | C41 | N15 | 110.1° | 107.9° |
| C41 | C42 | N43 | 109.9° | 107.9° |
| C42 | C41 | H34 | 125.0° | 126.0° |
| C41 | C42 | H35 | 125.1° | 126.1° |
| C41 | N15 | C44 | 101.9° | 108.0° |
| N15 | C41 | H34 | 124.9° | 126.1° |
| C42 | N43 | C44 | 102.1° | 108.0° |
| C42 | N43 | C46 | 133.4° | 126.0° |
| N43 | C42 | H35 | 125.0° | 126.0° |
| N15 | C44 | N43 | 116.0° | 108.2° |
| N15 | C44 | O45 | 121.6° | 125.9° |
| N43 | C44 | O45 | 122.4° | 125.9° |
| C44 | N43 | C46 | 124.5° | 126.0° |
| C47 | C46 | C51 | 113.3° | 120.3° |
| C47 | C46 | N43 | 127.9° | 119.9° |
| C46 | C47 | C48 | 126.4° | 119.4° |
| C46 | C47 | F55 | 119.6° | 120.3° |
| C51 | C46 | N43 | 118.7° | 119.8° |
| C46 | C51 | C50 | 122.7° | 120.8° |
| C46 | C51 | H37 | 118.6° | 119.6° |
| C48 | C47 | F55 | 114.0° | 120.3° |
| C47 | C48 | C49 | 117.1° | 119.7° |
| C47 | C48 | C52 | 137.3° | 133.9° |
| C49 | C48 | C52 | 105.6° | 106.4° |
| C48 | C49 | C50 | 119.4° | 119.7° |
| C48 | C49 | N54 | 107.4° | 106.6° |
| C48 | C52 | N53 | 109.3° | 107.8° |
| C48 | C52 | H38 | 125.3° | 126.1° |
| C50 | C49 | N54 | 133.2° | 133.7° |
| C49 | C50 | C51 | 121.1° | 120.1° |
| C49 | C50 | H36 | 119.4° | 119.9° |
| C49 | N54 | C56 | 127.9° | 125.4° |
| C49 | N54 | N53 | 109.7° | 109.1° |
| C51 | C50 | H36 | 119.5° | 120.0° |
| C50 | C51 | H37 | 118.7° | 119.6° |
| C52 | N53 | N54 | 108.0° | 110.1° |
| N53 | C52 | H38 | 125.3° | 126.1° |
| C56 | N54 | N53 | 122.4° | 125.5° |
| N54 | C56 | H39 | 109.5° | 109.4° |
| N54 | C56 | H40 | 109.5° | 109.4° |
| N54 | C56 | H41 | 109.5° | 109.5° |
| C57 | C58 | C59 | 128.0° | 109.5° |
| C58 | C57 | H42 | 118.2° | 109.5° |
| C58 | C57 | H43 | 118.2° | 109.4° |
| C57 | C58 | H44 | 104.6° | 109.5° |
| C57 | C58 | H45 | 104.6° | 109.4° |
| C59 | C58 | H44 | 104.6° | 109.5° |
| C59 | C58 | H45 | 104.7° | 109.5° |
| C58 | C59 | H46 | 109.5° | 109.5° |
| C58 | C59 | H47 | 109.5° | 109.5° |
| C58 | C59 | H48 | 109.5° | 109.4° |
| N61 | C60 | N64 | 105.9° | 107.2° |
| C60 | N61 | O62 | 110.3° | 111.7° |
| C60 | N64 | C63 | 107.1° | 104.4° |
| C60 | N64 | H49 | 126.4° | 127.8° |
| N64 | C63 | O62 | 106.4° | 106.0° |
| N64 | C63 | O65 | 127.5° | 126.9° |
| C63 | N64 | H49 | 126.4° | 127.9° |
| O62 | C63 | O65 | 126.2° | 127.0° |
| C63 | O62 | N61 | 110.2° | 110.7° |
| N11 | N07 | C03 | 126.0° | 126.1° |
| H3 | C08 | H4 | 109.4° | 109.5° |
| H3 | C08 | H5 | 109.5° | 109.5° |
| H4 | C08 | H5 | 109.5° | 109.4° |
| H6 | C09 | H7 | 109.4° | 109.5° |
| H6 | C09 | H8 | 109.4° | 109.4° |
| H7 | C09 | H8 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.7° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.4° | 109.5° |
| H26 | C38 | H27 | 109.5° | 109.6° |
| H28 | C39 | H29 | 109.5° | 109.5° |
| H28 | C39 | H30 | 109.5° | 109.5° |
| H29 | C39 | H30 | 109.5° | 109.4° |
| H31 | C40 | H32 | 109.5° | 109.4° |
| H31 | C40 | H33 | 109.4° | 109.5° |
| H32 | C40 | H33 | 109.5° | 109.5° |
| H39 | C56 | H40 | 109.5° | 109.4° |
| H39 | C56 | H41 | 109.5° | 109.5° |
| H40 | C56 | H41 | 109.5° | 109.5° |
| H42 | C57 | H43 | 109.5° | 109.5° |
| H44 | C58 | H45 | 109.5° | 109.5° |
| H46 | C59 | H47 | 109.5° | 109.5° |
| H46 | C59 | H48 | 109.4° | 109.5° |
| H47 | C59 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C08 | 179.9° | 179.7° |
| C01 | C02 | C03 | H1 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 1.0° | 0.1° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C02 | C01 | C06 | F10 | 179.9° | 180.0° |
| C01 | C02 | C03 | N07 | 179.4° | 180.0° |
| C02 | C01 | C08 | H3 | 90.1° | 90.0° |
| C02 | C01 | C08 | H4 | 149.9° | 150.0° |
| C02 | C01 | C08 | H5 | 29.9° | 30.0° |
| C06 | C01 | C02 | C03 | 0.5° | 0.1° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C01 | C06 | C05 | F10 | 179.9° | 180.0° |
| C01 | C06 | C05 | C09 | 180.0° | 179.9° |
| C06 | C01 | C02 | H1 | 179.5° | 179.9° |
| C06 | C01 | C08 | H3 | 90.0° | 90.3° |
| C06 | C01 | C08 | H4 | 29.9° | 29.7° |
| C06 | C01 | C08 | H5 | 150.0° | 149.7° |
| C08 | C01 | C02 | C03 | 179.4° | 179.8° |
| C08 | C01 | C06 | C05 | 179.9° | 179.7° |
| C08 | C01 | C06 | F10 | 0.0° | 0.3° |
| C08 | C01 | C02 | H1 | 0.6° | 0.4° |
| C01 | C08 | H3 | H4 | 120.0° | 120.0° |
| C01 | C08 | H3 | H5 | 120.0° | 120.0° |
| C01 | C08 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | C04 | N07 | 178.5° | 179.9° |
| C02 | C03 | C04 | C05 | 1.0° | 0.0° |
| C02 | C03 | N07 | C14 | 128.3° | 138.2° |
| C02 | C03 | N07 | N11 | 51.2° | 42.1° |
| C02 | C03 | C04 | H2 | 179.0° | 180.0° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C03 | C04 | C05 | C09 | 179.5° | 179.9° |
| C04 | C03 | N07 | C14 | 50.1° | 41.7° |
| C04 | C03 | N07 | N11 | 130.4° | 137.9° |
| C04 | C03 | C02 | H1 | 179.0° | 179.9° |
| C04 | C05 | C06 | C09 | 179.9° | 179.9° |
| C04 | C05 | C06 | F10 | 179.9° | 180.0° |
| C05 | C04 | C03 | N07 | 179.5° | 180.0° |
| C04 | C05 | C09 | H6 | 90.0° | 90.0° |
| C04 | C05 | C09 | H7 | 150.0° | 150.0° |
| C04 | C05 | C09 | H8 | 30.0° | 29.9° |
| C06 | C05 | C04 | H2 | 179.4° | 180.0° |
| C06 | C05 | C09 | H6 | 90.1° | 90.0° |
| C06 | C05 | C09 | H7 | 29.9° | 30.0° |
| C06 | C05 | C09 | H8 | 150.0° | 150.0° |
| C09 | C05 | C06 | F10 | 0.2° | 0.0° |
| C09 | C05 | C04 | H2 | 0.5° | 0.1° |
| C05 | C09 | H6 | H7 | 120.0° | 120.1° |
| C05 | C09 | H6 | H8 | 120.0° | 120.0° |
| C05 | C09 | H7 | H8 | 120.0° | 120.0° |
| C13 | C12 | C16 | N11 | 179.1° | 179.8° |
| C12 | C13 | C14 | C19 | 177.7° | 179.9° |
| C12 | C13 | C14 | N07 | 1.5° | 0.1° |
| C12 | C13 | C14 | N15 | 178.0° | 179.9° |
| C13 | C12 | C16 | C17 | 11.6° | 17.9° |
| C12 | C13 | C19 | C20 | 107.4° | 108.1° |
| C12 | C13 | C19 | N18 | 16.0° | 11.3° |
| C13 | C12 | N11 | N07 | 0.4° | 0.2° |
| C13 | C12 | C16 | H9 | 108.9° | 101.9° |
| C13 | C12 | C16 | H10 | 132.1° | 137.7° |
| C12 | C13 | C19 | H13 | 137.6° | 130.8° |
| C16 | C12 | C13 | C14 | 179.5° | 179.9° |
| C16 | C12 | C13 | C19 | 1.5° | 0.3° |
| C12 | C16 | C17 | H9 | 120.5° | 119.7° |
| C12 | C16 | C17 | H10 | 120.5° | 119.9° |
| C12 | C16 | C17 | N18 | 43.6° | 46.0° |
| C16 | C12 | N11 | N07 | 179.6° | 180.0° |
| C12 | C16 | H9 | H10 | 118.4° | 120.5° |
| C12 | C16 | C17 | H11 | 164.0° | 166.0° |
| C12 | C16 | C17 | H12 | 76.8° | 74.1° |
| N11 | C12 | C13 | C14 | 1.2° | 0.1° |
| N11 | C12 | C13 | C19 | 179.2° | 179.9° |
| C12 | N11 | N07 | C14 | 0.5° | 0.3° |
| N11 | C12 | C16 | C17 | 167.5° | 162.4° |
| C12 | N11 | N07 | C03 | 179.8° | 180.0° |
| N11 | C12 | C16 | H9 | 72.0° | 77.9° |
| N11 | C12 | C16 | H10 | 47.0° | 42.5° |
| C13 | C14 | N07 | N15 | 177.0° | 180.0° |
| C14 | C13 | C19 | C20 | 75.2° | 71.8° |
| C14 | C13 | C19 | N18 | 161.4° | 168.8° |
| C13 | C14 | N15 | C41 | 87.1° | 84.0° |
| C13 | C14 | N15 | C44 | 95.8° | 95.9° |
| C13 | C14 | N07 | N11 | 1.3° | 0.3° |
| C13 | C14 | N07 | C03 | 179.1° | 180.0° |
| C14 | C13 | C19 | H13 | 39.8° | 49.4° |
| C19 | C13 | C14 | N07 | 179.2° | 179.7° |
| C19 | C13 | C14 | N15 | 4.4° | 0.3° |
| C13 | C19 | N18 | C17 | 47.2° | 45.1° |
| C13 | C19 | C20 | N18 | 127.8° | 117.6° |
| C13 | C19 | C20 | H13 | 115.1° | 121.2° |
| C13 | C19 | N18 | H13 | 121.6° | 119.4° |
| C13 | C19 | N18 | C21 | 129.8° | 134.9° |
| C13 | C19 | C20 | H14 | 180.0° | 60.0° |
| C13 | C19 | C20 | H15 | 60.0° | 180.0° |
| C13 | C19 | C20 | H16 | 60.0° | 60.0° |
| N07 | C14 | N15 | C41 | 96.8° | 96.0° |
| N07 | C14 | N15 | C44 | 80.3° | 84.1° |
| C14 | N07 | N11 | C03 | 179.6° | 179.7° |
| C14 | N15 | C41 | C42 | 178.5° | 180.0° |
| C14 | N15 | C41 | C44 | 177.7° | 180.0° |
| C14 | N15 | C44 | N43 | 178.9° | 180.0° |
| C14 | N15 | C44 | O45 | 1.7° | 0.0° |
| N15 | C14 | N07 | N11 | 178.2° | 179.7° |
| N15 | C14 | N07 | C03 | 2.2° | 0.1° |
| C14 | N15 | C41 | H34 | 1.5° | 0.2° |
| C16 | C17 | N18 | H11 | 120.4° | 120.0° |
| C16 | C17 | N18 | H12 | 120.4° | 120.0° |
| C16 | C17 | N18 | C19 | 60.0° | 66.0° |
| C16 | C17 | N18 | C21 | 116.8° | 114.0° |
| C17 | C16 | H9 | H10 | 118.5° | 120.4° |
| C16 | C17 | H11 | H12 | 118.8° | 119.9° |
| C17 | N18 | C19 | C20 | 74.1° | 74.3° |
| C17 | N18 | C19 | C21 | 177.0° | 180.0° |
| C17 | N18 | C21 | C23 | 177.6° | 10.1° |
| C17 | N18 | C21 | O22 | 2.1° | 170.0° |
| N18 | C17 | C16 | H9 | 76.9° | 73.7° |
| N18 | C17 | C16 | H10 | 164.1° | 165.8° |
| N18 | C17 | H11 | H12 | 118.7° | 120.1° |
| C17 | N18 | C19 | H13 | 168.8° | 164.5° |
| C20 | C19 | N18 | H13 | 117.0° | 121.2° |
| C20 | C19 | N18 | C21 | 108.8° | 105.7° |
| C19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 120.0° |
| C19 | N18 | C21 | C23 | 1.2° | 169.9° |
| C19 | N18 | C21 | O22 | 178.5° | 10.0° |
| C19 | N18 | C17 | H11 | 179.6° | 174.0° |
| C19 | N18 | C17 | H12 | 60.4° | 54.0° |
| N18 | C19 | C20 | H14 | 52.2° | 177.7° |
| N18 | C19 | C20 | H15 | 67.8° | 62.3° |
| N18 | C19 | C20 | H16 | 172.2° | 57.6° |
| C23 | C21 | N18 | O22 | 179.7° | 180.0° |
| C21 | C23 | C27 | N24 | 178.6° | 179.8° |
| C21 | C23 | N24 | C25 | 178.6° | 180.0° |
| C21 | C23 | C27 | C26 | 178.9° | 180.0° |
| C21 | C23 | N24 | C28 | 0.4° | 0.0° |
| C21 | C23 | C27 | H17 | 1.1° | 0.0° |
| N18 | C21 | C23 | C27 | 73.3° | 28.2° |
| N18 | C21 | C23 | N24 | 105.1° | 151.5° |
| C21 | N18 | C17 | H11 | 3.6° | 6.0° |
| C21 | N18 | C17 | H12 | 122.8° | 126.0° |
| C21 | N18 | C19 | H13 | 8.2° | 15.5° |
| O22 | C21 | C23 | C27 | 107.0° | 151.7° |
| O22 | C21 | C23 | N24 | 74.6° | 28.5° |
| C23 | C27 | C26 | C25 | 0.5° | 0.1° |
| C27 | C23 | N24 | C25 | 0.0° | 0.2° |
| C23 | C27 | C26 | H17 | 180.0° | 180.0° |
| C23 | C27 | C26 | C32 | 179.6° | 179.8° |
| C27 | C23 | N24 | C28 | 178.2° | 179.7° |
| C23 | N24 | C25 | C26 | 0.4° | 0.1° |
| C23 | N24 | C25 | C29 | 179.8° | 179.8° |
| C23 | N24 | C25 | C28 | 177.8° | 179.9° |
| N24 | C23 | C27 | C26 | 0.3° | 0.2° |
| C23 | N24 | C28 | C57 | 143.1° | 46.2° |
| C23 | N24 | C28 | C60 | 76.1° | 73.8° |
| N24 | C23 | C27 | H17 | 179.7° | 179.7° |
| C23 | N24 | C28 | H18 | 35.6° | 166.2° |
| C26 | C25 | C29 | N24 | 179.4° | 179.9° |
| C25 | C26 | C27 | C32 | 179.9° | 180.0° |
| C26 | C25 | N24 | C28 | 178.2° | 179.8° |
| C26 | C25 | C29 | C30 | 0.0° | 0.0° |
| C25 | C26 | C32 | C31 | 0.5° | 0.0° |
| C25 | C26 | C27 | H17 | 179.5° | 179.8° |
| C26 | C25 | C29 | H19 | 179.9° | 180.0° |
| C25 | C26 | C32 | H21 | 179.5° | 180.0° |
| C29 | C25 | C26 | C27 | 179.9° | 180.0° |
| C29 | C25 | C26 | C32 | 0.0° | 0.0° |
| C29 | C25 | N24 | C28 | 2.4° | 0.3° |
| C25 | C29 | C30 | H19 | 180.0° | 179.9° |
| C25 | C29 | C30 | C31 | 0.3° | 0.1° |
| C25 | C29 | C30 | H20 | 179.7° | 180.0° |
| N24 | C25 | C26 | C27 | 0.5° | 0.0° |
| N24 | C25 | C26 | C32 | 179.6° | 180.0° |
| C25 | N24 | C28 | C57 | 39.3° | 133.7° |
| C25 | N24 | C28 | C60 | 101.5° | 106.3° |
| N24 | C25 | C29 | C30 | 179.4° | 180.0° |
| C25 | N24 | C28 | H18 | 146.8° | 13.7° |
| N24 | C25 | C29 | H19 | 0.7° | 0.1° |
| C27 | C26 | C32 | C31 | 179.7° | 180.0° |
| C27 | C26 | C32 | H21 | 0.3° | 0.0° |
| C26 | C32 | C31 | C30 | 0.8° | 0.0° |
| C26 | C32 | C31 | H21 | 180.0° | 179.9° |
| C26 | C32 | C31 | N33 | 179.7° | 180.0° |
| C32 | C26 | C27 | H17 | 0.4° | 0.2° |
| C57 | C28 | C60 | N24 | 132.6° | 120.0° |
| C57 | C28 | C60 | H18 | 114.9° | 120.0° |
| C57 | C28 | N24 | H18 | 107.5° | 120.0° |
| C28 | C57 | C58 | H42 | 112.0° | 120.0° |
| C28 | C57 | C58 | H43 | 112.0° | 120.0° |
| C28 | C57 | C58 | C59 | 110.5° | 175.7° |
| C57 | C28 | C60 | N61 | 94.8° | 96.1° |
| C57 | C28 | C60 | N64 | 88.1° | 84.2° |
| C28 | C57 | H42 | H43 | 139.4° | 120.0° |
| C28 | C57 | C58 | H44 | 127.1° | 55.6° |
| C28 | C57 | C58 | H45 | 12.0° | 64.3° |
| C60 | C28 | N24 | H18 | 111.7° | 120.0° |
| C60 | C28 | C57 | C58 | 43.3° | 63.3° |
| C28 | C60 | N61 | N64 | 177.5° | 179.7° |
| C28 | C60 | N64 | C63 | 179.0° | 180.0° |
| C28 | C60 | N61 | O62 | 178.8° | 180.0° |
| C60 | C28 | C57 | H42 | 155.3° | 176.7° |
| C60 | C28 | C57 | H43 | 68.8° | 56.6° |
| C28 | C60 | N64 | H49 | 1.0° | 0.0° |
| N24 | C28 | C57 | C58 | 179.4° | 176.7° |
| N24 | C28 | C60 | N61 | 132.6° | 23.9° |
| N24 | C28 | C60 | N64 | 44.5° | 155.8° |
| N24 | C28 | C57 | H42 | 67.3° | 56.7° |
| N24 | C28 | C57 | H43 | 68.5° | 63.4° |
| C29 | C30 | C31 | H20 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.7° | 0.0° |
| C29 | C30 | C31 | N33 | 179.6° | 180.0° |
| C30 | C31 | C32 | N33 | 178.9° | 180.0° |
| C30 | C31 | N33 | C34 | 147.0° | 124.0° |
| C30 | C31 | N33 | C38 | 21.8° | 0.3° |
| C31 | C30 | C29 | H19 | 179.7° | 180.0° |
| C30 | C31 | C32 | H21 | 179.2° | 180.0° |
| C32 | C31 | N33 | C34 | 31.8° | 56.0° |
| C32 | C31 | N33 | C38 | 157.1° | 179.6° |
| C32 | C31 | C30 | H20 | 179.3° | 180.0° |
| C31 | N33 | C34 | C35 | 179.6° | 177.6° |
| C31 | N33 | C34 | C38 | 132.9° | 123.8° |
| C31 | N33 | C38 | C37 | 165.1° | 177.6° |
| N33 | C31 | C30 | H20 | 0.4° | 0.0° |
| N33 | C31 | C32 | H21 | 0.3° | 0.1° |
| C31 | N33 | C34 | H22 | 59.0° | 62.5° |
| C31 | N33 | C34 | H23 | 59.7° | 57.7° |
| C31 | N33 | C38 | H26 | 44.4° | 57.7° |
| C31 | N33 | C38 | H27 | 74.2° | 62.4° |
| C35 | C34 | N33 | H22 | 120.6° | 119.9° |
| C35 | C34 | N33 | H23 | 120.6° | 120.0° |
| C34 | C35 | O36 | H24 | 120.3° | 120.0° |
| C34 | C35 | O36 | H25 | 120.2° | 120.0° |
| C34 | C35 | O36 | C37 | 62.6° | 58.7° |
| C35 | C34 | N33 | C38 | 46.7° | 58.6° |
| C35 | C34 | H22 | H23 | 118.0° | 120.1° |
| C34 | C35 | H24 | H25 | 119.3° | 120.2° |
| N33 | C34 | C35 | O36 | 10.6° | 56.8° |
| C34 | N33 | C38 | C37 | 62.4° | 58.6° |
| N33 | C34 | H22 | H23 | 118.1° | 120.1° |
| N33 | C34 | C35 | H24 | 130.8° | 63.1° |
| N33 | C34 | C35 | H25 | 109.6° | 176.8° |
| C34 | N33 | C38 | H26 | 176.9° | 178.5° |
| C34 | N33 | C38 | H27 | 58.3° | 61.3° |
| C35 | O36 | C37 | C38 | 47.2° | 58.7° |
| C35 | O36 | C37 | C39 | 75.3° | 178.6° |
| C35 | O36 | C37 | C40 | 164.0° | 61.3° |
| O36 | C35 | C34 | H22 | 131.2° | 63.1° |
| O36 | C35 | C34 | H23 | 110.0° | 176.8° |
| O36 | C35 | H24 | H25 | 119.3° | 120.0° |
| C38 | C37 | C39 | C40 | 119.0° | 120.1° |
| C38 | C37 | C39 | O36 | 121.8° | 119.8° |
| C38 | C37 | C40 | O36 | 118.2° | 119.8° |
| C37 | C38 | N33 | H26 | 120.7° | 119.9° |
| C37 | C38 | N33 | H27 | 120.7° | 119.9° |
| C37 | C38 | H26 | H27 | 117.9° | 120.1° |
| C38 | C37 | C39 | H28 | 180.0° | 60.0° |
| C38 | C37 | C39 | H29 | 60.0° | 180.0° |
| C38 | C37 | C39 | H30 | 60.0° | 60.0° |
| C38 | C37 | C40 | H31 | 180.0° | 60.0° |
| C38 | C37 | C40 | H32 | 60.0° | 180.0° |
| C38 | C37 | C40 | H33 | 60.0° | 60.0° |
| C39 | C37 | C40 | O36 | 120.5° | 120.1° |
| C39 | C37 | C38 | N33 | 140.5° | 176.8° |
| C39 | C37 | C38 | H26 | 98.8° | 63.3° |
| C39 | C37 | C38 | H27 | 19.8° | 56.9° |
| C37 | C39 | H28 | H29 | 120.0° | 120.0° |
| C37 | C39 | H28 | H30 | 120.0° | 120.0° |
| C37 | C39 | H29 | H30 | 120.0° | 119.9° |
| C39 | C37 | C40 | H31 | 58.8° | 179.9° |
| C39 | C37 | C40 | H32 | 61.2° | 59.9° |
| C39 | C37 | C40 | H33 | 178.8° | 60.1° |
| C40 | C37 | C38 | N33 | 98.7° | 63.1° |
| C40 | C37 | C38 | H26 | 22.0° | 56.8° |
| C40 | C37 | C38 | H27 | 140.6° | 176.9° |
| C40 | C37 | C39 | H28 | 61.0° | 60.1° |
| C40 | C37 | C39 | H29 | 179.0° | 60.0° |
| C40 | C37 | C39 | H30 | 59.0° | 179.9° |
| C37 | C40 | H31 | H32 | 120.0° | 120.0° |
| C37 | C40 | H31 | H33 | 120.0° | 120.0° |
| C37 | C40 | H32 | H33 | 120.0° | 120.0° |
| O36 | C37 | C38 | N33 | 18.4° | 56.9° |
| C37 | O36 | C35 | H24 | 177.2° | 61.3° |
| C37 | O36 | C35 | H25 | 57.7° | 178.6° |
| O36 | C37 | C38 | H26 | 139.1° | 176.8° |
| O36 | C37 | C38 | H27 | 102.2° | 63.1° |
| O36 | C37 | C39 | H28 | 58.3° | 179.8° |
| O36 | C37 | C39 | H29 | 61.8° | 60.2° |
| O36 | C37 | C39 | H30 | 178.2° | 59.7° |
| O36 | C37 | C40 | H31 | 61.8° | 59.8° |
| O36 | C37 | C40 | H32 | 178.2° | 60.2° |
| O36 | C37 | C40 | H33 | 58.2° | 179.8° |
| C38 | N33 | C34 | H22 | 73.9° | 61.3° |
| C38 | N33 | C34 | H23 | 167.3° | 178.5° |
| N33 | C38 | H26 | H27 | 117.9° | 120.1° |
| C42 | C41 | N15 | H34 | 180.0° | 179.8° |
| C41 | C42 | N43 | H35 | 180.0° | 180.0° |
| C42 | C41 | N15 | C44 | 0.8° | 0.0° |
| C41 | C42 | N43 | C44 | 0.4° | 0.0° |
| C41 | C42 | N43 | C46 | 178.7° | 180.0° |
| N15 | C41 | C42 | N43 | 0.3° | 0.0° |
| C41 | N15 | C44 | N43 | 1.2° | 0.0° |
| C41 | N15 | C44 | O45 | 179.5° | 180.0° |
| N15 | C41 | C42 | H35 | 179.7° | 179.9° |
| C42 | N43 | C44 | N15 | 1.0° | 0.0° |
| C42 | N43 | C44 | C46 | 178.4° | 180.0° |
| C42 | N43 | C44 | O45 | 179.6° | 180.0° |
| C42 | N43 | C46 | C47 | 113.6° | 89.9° |
| C42 | N43 | C46 | C51 | 70.4° | 89.7° |
| N43 | C42 | C41 | H34 | 179.7° | 179.7° |
| N15 | C44 | N43 | O45 | 179.3° | 180.0° |
| N15 | C44 | N43 | C46 | 179.5° | 180.0° |
| C44 | N15 | C41 | H34 | 179.1° | 179.7° |
| C44 | N43 | C46 | C47 | 68.5° | 90.0° |
| C44 | N43 | C46 | C51 | 107.5° | 90.3° |
| C44 | N43 | C42 | H35 | 179.6° | 179.9° |
| O45 | C44 | N43 | C46 | 1.2° | 0.1° |
| C47 | C46 | C51 | N43 | 176.6° | 179.7° |
| C46 | C47 | C48 | F55 | 178.7° | 179.9° |
| C46 | C47 | C48 | C49 | 1.3° | 0.0° |
| C46 | C47 | C48 | C52 | 178.9° | 180.0° |
| C47 | C46 | C51 | C50 | 1.8° | 0.0° |
| C47 | C46 | C51 | H37 | 178.2° | 179.9° |
| C51 | C46 | C47 | C48 | 2.0° | 0.1° |
| C51 | C46 | C47 | F55 | 179.3° | 180.0° |
| C46 | C51 | C50 | C49 | 0.9° | 0.0° |
| C46 | C51 | C50 | H37 | 180.0° | 180.0° |
| C46 | C51 | C50 | H36 | 179.1° | 180.0° |
| N43 | C46 | C47 | C48 | 178.2° | 179.7° |
| N43 | C46 | C47 | F55 | 3.1° | 0.4° |
| N43 | C46 | C51 | C50 | 178.4° | 179.7° |
| C46 | N43 | C42 | H35 | 1.3° | 0.0° |
| N43 | C46 | C51 | H37 | 1.6° | 0.3° |
| C47 | C48 | C49 | C52 | 179.8° | 180.0° |
| C47 | C48 | C49 | C50 | 0.1° | 0.0° |
| C47 | C48 | C49 | N54 | 179.9° | 179.9° |
| C47 | C48 | C52 | N53 | 179.8° | 180.0° |
| C47 | C48 | C52 | H38 | 0.2° | 0.0° |
| F55 | C47 | C48 | C49 | 180.0° | 179.9° |
| F55 | C47 | C48 | C52 | 0.2° | 0.1° |
| C48 | C49 | C50 | N54 | 180.0° | 179.9° |
| C48 | C49 | C50 | C51 | 0.0° | 0.1° |
| C49 | C48 | C52 | N53 | 0.0° | 0.0° |
| C48 | C49 | N54 | C56 | 179.9° | 180.0° |
| C48 | C49 | N54 | N53 | 0.1° | 0.0° |
| C48 | C49 | C50 | H36 | 180.0° | 180.0° |
| C49 | C48 | C52 | H38 | 180.0° | 180.0° |
| C52 | C48 | C49 | C50 | 179.9° | 180.0° |
| C52 | C48 | C49 | N54 | 0.1° | 0.0° |
| C48 | C52 | N53 | H38 | 180.0° | 180.0° |
| C48 | C52 | N53 | N54 | 0.0° | 0.0° |
| C49 | C50 | C51 | H36 | 180.0° | 180.0° |
| C50 | C49 | N54 | C56 | 0.1° | 0.1° |
| C50 | C49 | N54 | N53 | 179.9° | 179.9° |
| C49 | C50 | C51 | H37 | 179.1° | 180.0° |
| N54 | C49 | C50 | C51 | 180.0° | 179.9° |
| C49 | N54 | N53 | C52 | 0.1° | 0.0° |
| C49 | N54 | C56 | N53 | 179.8° | 180.0° |
| N54 | C49 | C50 | H36 | 0.0° | 0.1° |
| C49 | N54 | C56 | H39 | 179.8° | 90.0° |
| C49 | N54 | C56 | H40 | 59.8° | 150.1° |
| C49 | N54 | C56 | H41 | 60.2° | 30.1° |
| C52 | N53 | N54 | C56 | 179.9° | 180.0° |
| N54 | C56 | H39 | H40 | 120.0° | 119.9° |
| N54 | C56 | H39 | H41 | 120.0° | 120.0° |
| N54 | C56 | H40 | H41 | 120.0° | 120.0° |
| C57 | C58 | C59 | H44 | 122.4° | 120.0° |
| C57 | C58 | C59 | H45 | 122.5° | 119.9° |
| C58 | C57 | C28 | H18 | 71.3° | 56.7° |
| C58 | C57 | H42 | H43 | 139.4° | 120.0° |
| C57 | C58 | H44 | H45 | 111.7° | 119.9° |
| C57 | C58 | C59 | H46 | 180.0° | 55.0° |
| C57 | C58 | C59 | H47 | 60.0° | 65.0° |
| C57 | C58 | C59 | H48 | 60.0° | 175.0° |
| C59 | C58 | C57 | H42 | 1.5° | 64.3° |
| C59 | C58 | C57 | H43 | 137.4° | 55.7° |
| C59 | C58 | H44 | H45 | 111.7° | 120.1° |
| C58 | C59 | H46 | H47 | 120.0° | 120.0° |
| C58 | C59 | H46 | H48 | 120.0° | 119.9° |
| C58 | C59 | H47 | H48 | 120.0° | 119.9° |
| N61 | C60 | N64 | C63 | 1.3° | 0.2° |
| C60 | N61 | O62 | C63 | 0.9° | 0.1° |
| N61 | C60 | C28 | H18 | 20.2° | 143.9° |
| N61 | C60 | N64 | H49 | 178.7° | 179.7° |
| C60 | N64 | C63 | H49 | 180.0° | 180.0° |
| C60 | N64 | C63 | O62 | 0.7° | 0.2° |
| C60 | N64 | C63 | O65 | 179.3° | 180.0° |
| N64 | C60 | N61 | O62 | 1.3° | 0.3° |
| N64 | C60 | C28 | H18 | 157.0° | 35.8° |
| N64 | C63 | O62 | O65 | 180.0° | 179.9° |
| N64 | C63 | O62 | N61 | 0.1° | 0.0° |
| O62 | C63 | N64 | H49 | 179.3° | 179.8° |
| O65 | C63 | O62 | N61 | 179.9° | 179.9° |
| O65 | C63 | N64 | H49 | 0.7° | 0.1° |
| N54 | N53 | C52 | H38 | 179.9° | 180.0° |
| N53 | N54 | C56 | H39 | 0.0° | 90.0° |
| N53 | N54 | C56 | H40 | 120.0° | 29.9° |
| N53 | N54 | C56 | H41 | 120.0° | 150.0° |
| N07 | C03 | C02 | H1 | 0.6° | 0.1° |
| N07 | C03 | C04 | H2 | 0.5° | 0.0° |
| H3 | C08 | H4 | H5 | 120.0° | 120.0° |
| H6 | C09 | H7 | H8 | 120.0° | 119.9° |
| H9 | C16 | C17 | H11 | 43.5° | 46.3° |
| H9 | C16 | C17 | H12 | 162.7° | 166.2° |
| H10 | C16 | C17 | H11 | 75.5° | 74.1° |
| H10 | C16 | C17 | H12 | 43.7° | 45.8° |
| H13 | C19 | C20 | H14 | 64.9° | 61.1° |
| H13 | C19 | C20 | H15 | 175.1° | 58.9° |
| H13 | C19 | C20 | H16 | 55.1° | 178.8° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H18 | C28 | C57 | H42 | 40.7° | 63.3° |
| H18 | C28 | C57 | H43 | 176.6° | 176.6° |
| H19 | C29 | C30 | H20 | 0.3° | 0.0° |
| H22 | C34 | C35 | H24 | 108.5° | 177.0° |
| H22 | C34 | C35 | H25 | 11.0° | 56.8° |
| H23 | C34 | C35 | H24 | 10.2° | 56.9° |
| H23 | C34 | C35 | H25 | 129.7° | 63.3° |
| H28 | C39 | H29 | H30 | 120.0° | 120.0° |
| H31 | C40 | H32 | H33 | 120.0° | 120.0° |
| H34 | C41 | C42 | H35 | 0.3° | 0.3° |
| H36 | C50 | C51 | H37 | 0.9° | 0.1° |
| H39 | C56 | H40 | H41 | 120.0° | 120.1° |
| H42 | C57 | C58 | H44 | 120.9° | 175.6° |
| H42 | C57 | C58 | H45 | 124.0° | 55.7° |
| H43 | C57 | C58 | H44 | 15.0° | 64.3° |
| H43 | C57 | C58 | H45 | 100.1° | 175.7° |
| H44 | C58 | C59 | H46 | 57.6° | 175.0° |
| H44 | C58 | C59 | H47 | 177.6° | 55.0° |
| H44 | C58 | C59 | H48 | 62.4° | 65.0° |
| H45 | C58 | C59 | H46 | 57.6° | 64.9° |
| H45 | C58 | C59 | H47 | 62.5° | 175.0° |
| H45 | C58 | C59 | H48 | 177.5° | 55.1° |
| H46 | C59 | H47 | H48 | 120.0° | 120.0° |
