08L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N5 | sing | 1.37Å | 1.32Å | |
| O7 | C6 | doub | 1.22Å | 1.24Å | |
| C8 | C6 | sing | 1.48Å | 1.51Å | |
| C9 | C8 | doub | 1.34Å | 1.38Å | |
| C10 | C9 | sing | 1.47Å | 1.50Å | |
| C10 | N12 | sing | 1.37Å | 1.32Å | |
| O11 | C10 | doub | 1.22Å | 1.24Å | |
| N12 | H8 | sing | 0.97Å | 1.00Å | |
| C13 | C16 | sing | 1.53Å | 1.54Å | |
| C13 | N12 | sing | 1.48Å | 1.43Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | N28 | sing | 1.36Å | 1.31Å | |
| O15 | C14 | doub | 1.21Å | 1.24Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | C48 | sing | 1.53Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C52 | C17 | sing | 1.53Å | 1.55Å | |
| C52 | H47 | sing | 1.09Å | 1.10Å | |
| C52 | H48 | sing | 1.09Å | 1.10Å | |
| C51 | C50 | sing | 1.53Å | 1.50Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | H45 | sing | 1.09Å | 1.10Å | |
| C51 | H46 | sing | 1.09Å | 1.10Å | |
| C50 | C49 | sing | 1.53Å | 1.49Å | |
| C50 | H43 | sing | 1.09Å | 1.10Å | |
| C50 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | C48 | sing | 1.53Å | 1.56Å | |
| C49 | H41 | sing | 1.09Å | 1.10Å | |
| C49 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| C48 | H40 | sing | 1.09Å | 1.10Å | |
| N28 | C27 | sing | 1.48Å | 1.48Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| C27 | C29 | sing | 1.53Å | 1.50Å | |
| C27 | C25 | sing | 1.51Å | 1.48Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | N24 | sing | 1.37Å | 1.33Å | |
| C25 | O26 | doub | 1.21Å | 1.25Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.51Å | 1.52Å | |
| C47 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C47 | H38 | sing | 1.08Å | 1.08Å | |
| C43 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | H34 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | H37 | sing | 1.08Å | 1.08Å | |
| C44 | C43 | doub | 1.38Å | 1.42Å | Aromatic |
| C44 | H35 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.42Å | Aromatic |
| C45 | H36 | sing | 1.08Å | 1.08Å | |
| C21 | N20 | sing | 1.36Å | 1.31Å | |
| C21 | C23 | sing | 1.52Å | 1.53Å | |
| O22 | C21 | doub | 1.21Å | 1.25Å | |
| C23 | C31 | sing | 1.53Å | 1.49Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| N24 | C23 | sing | 1.48Å | 1.48Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | N34 | sing | 1.47Å | 1.45Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| N34 | C35 | sing | 1.35Å | 1.46Å | |
| N34 | H30 | sing | 0.97Å | 1.00Å | |
| C35 | C37 | sing | 1.48Å | 1.51Å | |
| C35 | O36 | doub | 1.21Å | 1.20Å | |
| C37 | C42 | doub | 1.39Å | 1.38Å | Aromatic |
| N38 | C39 | doub | 1.32Å | 1.32Å | Aromatic |
| N38 | C37 | sing | 1.33Å | 1.35Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | N41 | doub | 1.32Å | 1.33Å | Aromatic |
| C40 | H32 | sing | 1.08Å | 1.08Å | |
| C42 | N41 | sing | 1.32Å | 1.36Å | Aromatic |
| C42 | H33 | sing | 1.08Å | 1.08Å | |
| N5 | C3 | sing | 1.48Å | 1.45Å | |
| N5 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | C18 | sing | 1.53Å | 1.54Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.34Å | 1.25Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| O4 | C2 | doub | 1.21Å | 1.27Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | N20 | sing | 1.48Å | 1.45Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| N20 | H17 | sing | 0.97Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C6 | O7 | 107.4° | 121.4° |
| N5 | C6 | C8 | 132.6° | 117.3° |
| C6 | N5 | C3 | 126.0° | 116.8° |
| C6 | N5 | H3 | 117.0° | 121.6° |
| O7 | C6 | C8 | 119.2° | 121.3° |
| C6 | C8 | C9 | 122.7° | 121.7° |
| C6 | C8 | H4 | 118.7° | 118.7° |
| C8 | C9 | C10 | 118.0° | 121.5° |
| C9 | C8 | H4 | 118.6° | 119.6° |
| C8 | C9 | H6 | 121.0° | 119.2° |
| C9 | C10 | N12 | 144.5° | 118.1° |
| C9 | C10 | O11 | 104.1° | 121.0° |
| C10 | C9 | H6 | 121.0° | 119.2° |
| N12 | C10 | O11 | 109.8° | 121.0° |
| C10 | N12 | H8 | 116.1° | 122.6° |
| C10 | N12 | C13 | 127.9° | 114.8° |
| H8 | N12 | C13 | 116.0° | 122.7° |
| C16 | C13 | N12 | 112.3° | 109.6° |
| C16 | C13 | C14 | 105.1° | 109.6° |
| C16 | C13 | H9 | 109.2° | 109.6° |
| C13 | C16 | H10 | 108.5° | 109.4° |
| C13 | C16 | H11 | 108.5° | 109.5° |
| C13 | C16 | C17 | 112.3° | 109.5° |
| N12 | C13 | C14 | 105.1° | 109.0° |
| N12 | C13 | H9 | 109.2° | 109.6° |
| C14 | C13 | H9 | 115.9° | 109.6° |
| C13 | C14 | N28 | 147.4° | 118.6° |
| C13 | C14 | O15 | 107.6° | 120.7° |
| N28 | C14 | O15 | 104.3° | 120.7° |
| C14 | N28 | C27 | 153.3° | 116.3° |
| C14 | N28 | H21 | 103.3° | 121.8° |
| H10 | C16 | H11 | 110.4° | 109.5° |
| H10 | C16 | C17 | 108.5° | 109.5° |
| H11 | C16 | C17 | 108.5° | 109.5° |
| C48 | C17 | C16 | 109.2° | 109.5° |
| C48 | C17 | H12 | 108.7° | 109.5° |
| C48 | C17 | C52 | 112.0° | 109.5° |
| C17 | C48 | C49 | 112.3° | 109.5° |
| C17 | C48 | H39 | 108.5° | 109.5° |
| C17 | C48 | H40 | 108.6° | 109.5° |
| C16 | C17 | H12 | 109.0° | 109.5° |
| C16 | C17 | C52 | 111.6° | 109.5° |
| H12 | C17 | C52 | 106.1° | 109.4° |
| C17 | C52 | H47 | 108.5° | 109.5° |
| C17 | C52 | H48 | 108.6° | 109.5° |
| C17 | C52 | C51 | 112.3° | 109.5° |
| H47 | C52 | H48 | 110.4° | 109.4° |
| H47 | C52 | C51 | 108.5° | 109.4° |
| H48 | C52 | C51 | 108.6° | 109.5° |
| C50 | C51 | C52 | 108.2° | 109.5° |
| C50 | C51 | H45 | 109.9° | 109.5° |
| C50 | C51 | H46 | 109.9° | 109.5° |
| C51 | C50 | C49 | 110.0° | 109.5° |
| C51 | C50 | H43 | 109.3° | 109.5° |
| C51 | C50 | H44 | 109.3° | 109.4° |
| C52 | C51 | H45 | 109.9° | 109.5° |
| C52 | C51 | H46 | 109.9° | 109.4° |
| H45 | C51 | H46 | 109.0° | 109.5° |
| C49 | C50 | H43 | 109.3° | 109.4° |
| C49 | C50 | H44 | 109.3° | 109.5° |
| C50 | C49 | C48 | 114.7° | 109.5° |
| C50 | C49 | H41 | 107.8° | 109.5° |
| C50 | C49 | H42 | 107.7° | 109.4° |
| H43 | C50 | H44 | 109.7° | 109.5° |
| C48 | C49 | H41 | 107.7° | 109.5° |
| C48 | C49 | H42 | 107.8° | 109.5° |
| C49 | C48 | H39 | 108.5° | 109.5° |
| C49 | C48 | H40 | 108.5° | 109.5° |
| H41 | C49 | H42 | 111.1° | 109.5° |
| H39 | C48 | H40 | 110.4° | 109.4° |
| C27 | N28 | H21 | 103.4° | 121.9° |
| N28 | C27 | C29 | 112.7° | 109.6° |
| N28 | C27 | C25 | 102.3° | 108.7° |
| N28 | C27 | H20 | 113.6° | 109.6° |
| C29 | C27 | C25 | 113.4° | 109.6° |
| C29 | C27 | H20 | 102.5° | 109.6° |
| C27 | C29 | H22 | 110.1° | 109.5° |
| C27 | C29 | H23 | 110.0° | 109.5° |
| C27 | C29 | C30 | 107.7° | 109.5° |
| C25 | C27 | H20 | 112.9° | 109.7° |
| C27 | C25 | N24 | 141.0° | 118.5° |
| C27 | C25 | O26 | 104.1° | 120.8° |
| N24 | C25 | O26 | 111.2° | 120.8° |
| C25 | N24 | C23 | 127.7° | 114.9° |
| C25 | N24 | H19 | 116.2° | 122.5° |
| H22 | C29 | H23 | 108.9° | 109.5° |
| H22 | C29 | C30 | 110.0° | 109.5° |
| H23 | C29 | C30 | 110.1° | 109.5° |
| C29 | C30 | C47 | 120.9° | 120.0° |
| C29 | C30 | C43 | 120.2° | 120.0° |
| C30 | C47 | H38 | 120.1° | 120.0° |
| C47 | C30 | C43 | 118.8° | 120.0° |
| C30 | C47 | C46 | 119.8° | 120.0° |
| H38 | C47 | C46 | 120.1° | 120.0° |
| C30 | C43 | H34 | 119.9° | 120.0° |
| C30 | C43 | C44 | 120.2° | 120.0° |
| H34 | C43 | C44 | 119.9° | 120.0° |
| C47 | C46 | H37 | 119.2° | 120.0° |
| C47 | C46 | C45 | 121.7° | 120.0° |
| H37 | C46 | C45 | 119.2° | 120.0° |
| C43 | C44 | H35 | 120.7° | 120.0° |
| C43 | C44 | C45 | 118.6° | 120.0° |
| H35 | C44 | C45 | 120.7° | 120.0° |
| C46 | C45 | C44 | 119.3° | 120.0° |
| C46 | C45 | H36 | 120.3° | 120.0° |
| C44 | C45 | H36 | 120.3° | 120.0° |
| N20 | C21 | C23 | 148.0° | 117.9° |
| N20 | C21 | O22 | 104.2° | 120.6° |
| C21 | N20 | C19 | 157.7° | 116.4° |
| C21 | N20 | H17 | 101.1° | 121.8° |
| C23 | C21 | O22 | 106.5° | 121.5° |
| C21 | C23 | C31 | 111.0° | 109.7° |
| C21 | C23 | H18 | 109.9° | 109.7° |
| C21 | C23 | N24 | 107.6° | 107.7° |
| C31 | C23 | H18 | 107.5° | 109.8° |
| C31 | C23 | N24 | 110.0° | 110.0° |
| C23 | C31 | C32 | 110.7° | 109.5° |
| C23 | C31 | H24 | 109.0° | 109.5° |
| C23 | C31 | H25 | 109.1° | 109.4° |
| H18 | C23 | N24 | 111.0° | 109.9° |
| C23 | N24 | H19 | 116.2° | 122.6° |
| C32 | C31 | H24 | 109.1° | 109.5° |
| C32 | C31 | H25 | 109.1° | 109.5° |
| C31 | C32 | C33 | 107.4° | 109.5° |
| C31 | C32 | H26 | 110.1° | 109.5° |
| C31 | C32 | H27 | 110.2° | 109.5° |
| H24 | C31 | H25 | 109.9° | 109.4° |
| C33 | C32 | H26 | 110.2° | 109.4° |
| C33 | C32 | H27 | 110.2° | 109.5° |
| C32 | C33 | N34 | 109.2° | 109.5° |
| C32 | C33 | H28 | 109.6° | 109.5° |
| C32 | C33 | H29 | 109.6° | 109.5° |
| H26 | C32 | H27 | 108.8° | 109.4° |
| N34 | C33 | H28 | 109.6° | 109.4° |
| N34 | C33 | H29 | 109.6° | 109.5° |
| C33 | N34 | C35 | 121.2° | 120.0° |
| C33 | N34 | H30 | 119.4° | 120.0° |
| H28 | C33 | H29 | 109.3° | 109.6° |
| C35 | N34 | H30 | 119.4° | 120.1° |
| N34 | C35 | C37 | 117.0° | 120.0° |
| N34 | C35 | O36 | 120.8° | 120.0° |
| C37 | C35 | O36 | 120.1° | 120.0° |
| C35 | C37 | C42 | 119.2° | 120.1° |
| C35 | C37 | N38 | 117.9° | 120.1° |
| C42 | C37 | N38 | 122.3° | 119.8° |
| C37 | C42 | N41 | 117.4° | 119.9° |
| C37 | C42 | H33 | 121.3° | 120.1° |
| C39 | N38 | C37 | 116.8° | 119.9° |
| N38 | C39 | C40 | 119.4° | 120.1° |
| N38 | C39 | H31 | 120.3° | 119.9° |
| C40 | C39 | H31 | 120.3° | 119.9° |
| C39 | C40 | N41 | 119.7° | 120.2° |
| C39 | C40 | H32 | 120.2° | 119.9° |
| N41 | C40 | H32 | 120.2° | 119.9° |
| C40 | N41 | C42 | 119.7° | 120.1° |
| N41 | C42 | H33 | 121.3° | 120.1° |
| C3 | N5 | H3 | 117.0° | 121.6° |
| N5 | C3 | C18 | 111.3° | 109.5° |
| N5 | C3 | H2 | 106.3° | 109.5° |
| N5 | C3 | C2 | 111.1° | 109.5° |
| C18 | C3 | H2 | 110.5° | 109.5° |
| C18 | C3 | C2 | 106.9° | 109.5° |
| C3 | C18 | C19 | 113.5° | 108.8° |
| C3 | C18 | H13 | 108.2° | 109.5° |
| C3 | C18 | H14 | 108.1° | 109.6° |
| H2 | C3 | C2 | 110.8° | 109.4° |
| O1 | C2 | C3 | 116.5° | 120.0° |
| O1 | C2 | O4 | 118.9° | 119.9° |
| C2 | O1 | H1 | 109.5° | 117.1° |
| C3 | C2 | O4 | 118.1° | 120.0° |
| C19 | C18 | H13 | 108.1° | 109.6° |
| C19 | C18 | H14 | 108.1° | 109.6° |
| C18 | C19 | N20 | 107.8° | 109.1° |
| C18 | C19 | H15 | 110.0° | 109.5° |
| C18 | C19 | H16 | 110.0° | 109.5° |
| H13 | C18 | H14 | 110.8° | 109.6° |
| N20 | C19 | H15 | 110.0° | 109.5° |
| N20 | C19 | H16 | 110.0° | 109.5° |
| C19 | N20 | H17 | 101.1° | 121.8° |
| H15 | C19 | H16 | 108.9° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C6 | O7 | C8 | 171.3° | 179.8° |
| N5 | C6 | C8 | C9 | 164.6° | 177.4° |
| C6 | N5 | C3 | H3 | 180.0° | 179.9° |
| C6 | N5 | C3 | C18 | 159.3° | 22.0° |
| C6 | N5 | C3 | H2 | 38.9° | 98.0° |
| C6 | N5 | C3 | C2 | 81.7° | 142.0° |
| N5 | C6 | C8 | H4 | 15.4° | 2.5° |
| O7 | C6 | C8 | C9 | 26.8° | 2.9° |
| O7 | C6 | N5 | C3 | 2.0° | 4.9° |
| O7 | C6 | N5 | H3 | 178.0° | 175.0° |
| O7 | C6 | C8 | H4 | 153.2° | 177.2° |
| C6 | C8 | C9 | H4 | 180.0° | 179.9° |
| C6 | C8 | C9 | C10 | 55.2° | 3.8° |
| C8 | C6 | N5 | C3 | 171.6° | 174.9° |
| C8 | C6 | N5 | H3 | 8.4° | 5.3° |
| C6 | C8 | C9 | H6 | 124.8° | 178.0° |
| C8 | C9 | C10 | H6 | 180.0° | 178.2° |
| C8 | C9 | C10 | N12 | 36.5° | 176.9° |
| C8 | C9 | C10 | O11 | 125.8° | 3.1° |
| C9 | C10 | N12 | O11 | 161.7° | 180.0° |
| C9 | C10 | N12 | H8 | 4.0° | 16.9° |
| C9 | C10 | N12 | C13 | 176.0° | 163.1° |
| C10 | C9 | C8 | H4 | 124.8° | 176.1° |
| C10 | N12 | H8 | C13 | 180.0° | 180.0° |
| C10 | N12 | C13 | C16 | 107.5° | 69.3° |
| C10 | N12 | C13 | C14 | 138.7° | 50.6° |
| C10 | N12 | C13 | H9 | 13.7° | 170.5° |
| N12 | C10 | C9 | H6 | 143.5° | 5.0° |
| O11 | C10 | N12 | H8 | 157.7° | 163.1° |
| O11 | C10 | N12 | C13 | 22.3° | 16.9° |
| O11 | C10 | C9 | H6 | 54.2° | 175.1° |
| H8 | N12 | C13 | C16 | 72.5° | 110.7° |
| H8 | N12 | C13 | C14 | 41.3° | 129.4° |
| H8 | N12 | C13 | H9 | 166.3° | 9.5° |
| C16 | C13 | N12 | C14 | 113.8° | 119.9° |
| C16 | C13 | N12 | H9 | 121.2° | 120.2° |
| C16 | C13 | C14 | H9 | 120.6° | 120.2° |
| C16 | C13 | C14 | N28 | 54.8° | 49.2° |
| C16 | C13 | C14 | O15 | 137.0° | 130.7° |
| C13 | C16 | H10 | H11 | 118.8° | 120.0° |
| C13 | C16 | H10 | C17 | 122.4° | 120.0° |
| C13 | C16 | H11 | C17 | 122.4° | 120.0° |
| C13 | C16 | C17 | C48 | 170.4° | 175.0° |
| C13 | C16 | C17 | H12 | 51.8° | 55.0° |
| C13 | C16 | C17 | C52 | 65.2° | 65.0° |
| N12 | C13 | C14 | H9 | 120.6° | 119.9° |
| N12 | C13 | C14 | N28 | 63.9° | 169.1° |
| N12 | C13 | C14 | O15 | 104.2° | 10.8° |
| N12 | C13 | C16 | H10 | 59.3° | 55.0° |
| N12 | C13 | C16 | H11 | 179.3° | 175.0° |
| N12 | C13 | C16 | C17 | 60.7° | 65.0° |
| C13 | C14 | N28 | O15 | 168.4° | 180.0° |
| C14 | C13 | C16 | H10 | 54.5° | 64.5° |
| C14 | C13 | C16 | H11 | 65.5° | 55.4° |
| C14 | C13 | C16 | C17 | 174.5° | 175.4° |
| C13 | C14 | N28 | C27 | 175.2° | 179.5° |
| C13 | C14 | N28 | H21 | 4.8° | 0.4° |
| H9 | C13 | C14 | N28 | 175.4° | 71.0° |
| H9 | C13 | C14 | O15 | 16.4° | 109.1° |
| H9 | C13 | C16 | H10 | 179.5° | 175.2° |
| H9 | C13 | C16 | H11 | 59.5° | 64.8° |
| H9 | C13 | C16 | C17 | 60.5° | 55.2° |
| C14 | N28 | C27 | H21 | 180.0° | 180.0° |
| C14 | N28 | C27 | C29 | 114.6° | 156.2° |
| C14 | N28 | C27 | C25 | 123.3° | 84.0° |
| C14 | N28 | C27 | H20 | 1.4° | 35.9° |
| O15 | C14 | N28 | C27 | 16.4° | 0.5° |
| O15 | C14 | N28 | H21 | 163.6° | 179.5° |
| H10 | C16 | H11 | C17 | 118.9° | 120.0° |
| H10 | C16 | C17 | C48 | 50.4° | 55.0° |
| H10 | C16 | C17 | H12 | 68.2° | 65.0° |
| H10 | C16 | C17 | C52 | 174.8° | 175.0° |
| H11 | C16 | C17 | C48 | 69.6° | 65.0° |
| H11 | C16 | C17 | H12 | 171.7° | 175.0° |
| H11 | C16 | C17 | C52 | 54.8° | 55.0° |
| C48 | C17 | C16 | H12 | 118.6° | 120.0° |
| C48 | C17 | C16 | C52 | 124.4° | 120.0° |
| C48 | C17 | H12 | C52 | 120.6° | 120.0° |
| C48 | C17 | C52 | H47 | 67.0° | 60.0° |
| C48 | C17 | C52 | H48 | 172.9° | 180.0° |
| C48 | C17 | C52 | C51 | 52.9° | 60.0° |
| C17 | C48 | C49 | C50 | 46.1° | 60.0° |
| C17 | C48 | C49 | H39 | 120.0° | 120.0° |
| C17 | C48 | C49 | H40 | 120.0° | 120.0° |
| C17 | C48 | C49 | H41 | 166.1° | 180.0° |
| C17 | C48 | C49 | H42 | 73.9° | 60.0° |
| C17 | C48 | H39 | H40 | 118.8° | 120.0° |
| C16 | C17 | H12 | C52 | 120.4° | 120.0° |
| C16 | C17 | C52 | H47 | 55.8° | 60.0° |
| C16 | C17 | C52 | H48 | 64.2° | 60.0° |
| C16 | C17 | C52 | C51 | 175.8° | 180.0° |
| C16 | C17 | C48 | C49 | 167.3° | 180.0° |
| C16 | C17 | C48 | H39 | 72.7° | 60.0° |
| C16 | C17 | C48 | H40 | 47.2° | 60.0° |
| H12 | C17 | C52 | H47 | 174.5° | 180.0° |
| H12 | C17 | C52 | H48 | 54.5° | 60.0° |
| H12 | C17 | C52 | C51 | 65.5° | 60.0° |
| H12 | C17 | C48 | C49 | 73.9° | 60.0° |
| H12 | C17 | C48 | H39 | 46.1° | 60.1° |
| H12 | C17 | C48 | H40 | 166.1° | 180.0° |
| C17 | C52 | H47 | H48 | 118.9° | 120.1° |
| C17 | C52 | H47 | C51 | 122.3° | 120.0° |
| C17 | C52 | H48 | C51 | 122.3° | 120.0° |
| C17 | C52 | C51 | C50 | 61.8° | 60.0° |
| C17 | C52 | C51 | H45 | 58.2° | 180.0° |
| C17 | C52 | C51 | H46 | 178.2° | 60.0° |
| C52 | C17 | C48 | C49 | 43.1° | 60.0° |
| C52 | C17 | C48 | H39 | 163.1° | 180.0° |
| C52 | C17 | C48 | H40 | 76.9° | 60.0° |
| H47 | C52 | H48 | C51 | 118.8° | 119.9° |
| H47 | C52 | C51 | C50 | 58.2° | 60.0° |
| H47 | C52 | C51 | H45 | 178.2° | 60.0° |
| H47 | C52 | C51 | H46 | 61.8° | 180.0° |
| H48 | C52 | C51 | C50 | 178.2° | 180.0° |
| H48 | C52 | C51 | H45 | 61.8° | 59.9° |
| H48 | C52 | C51 | H46 | 58.2° | 60.1° |
| C50 | C51 | C52 | H45 | 120.0° | 120.0° |
| C50 | C51 | C52 | H46 | 120.0° | 120.0° |
| C50 | C51 | H45 | H46 | 120.5° | 120.0° |
| C51 | C50 | C49 | H43 | 120.0° | 120.0° |
| C51 | C50 | C49 | H44 | 120.0° | 120.0° |
| C51 | C50 | H43 | H44 | 119.8° | 120.0° |
| C51 | C50 | C49 | C48 | 55.5° | 60.0° |
| C51 | C50 | C49 | H41 | 175.5° | 180.0° |
| C51 | C50 | C49 | H42 | 64.5° | 60.0° |
| C52 | C51 | H45 | H46 | 120.5° | 120.0° |
| C52 | C51 | C50 | C49 | 62.2° | 60.0° |
| C52 | C51 | C50 | H43 | 57.8° | 60.0° |
| C52 | C51 | C50 | H44 | 177.9° | 180.0° |
| H45 | C51 | C50 | C49 | 57.8° | 180.0° |
| H45 | C51 | C50 | H43 | 177.8° | 60.0° |
| H45 | C51 | C50 | H44 | 62.1° | 60.0° |
| H46 | C51 | C50 | C49 | 177.8° | 60.0° |
| H46 | C51 | C50 | H43 | 62.2° | 179.9° |
| H46 | C51 | C50 | H44 | 57.9° | 60.0° |
| C49 | C50 | H43 | H44 | 119.8° | 120.0° |
| C50 | C49 | C48 | H41 | 120.0° | 120.0° |
| C50 | C49 | C48 | H42 | 120.0° | 120.0° |
| C50 | C49 | H41 | H42 | 117.8° | 120.0° |
| C50 | C49 | C48 | H39 | 166.1° | 180.0° |
| C50 | C49 | C48 | H40 | 74.0° | 60.0° |
| H43 | C50 | C49 | C48 | 64.5° | 60.0° |
| H43 | C50 | C49 | H41 | 55.5° | 60.0° |
| H43 | C50 | C49 | H42 | 175.5° | 180.0° |
| H44 | C50 | C49 | C48 | 175.5° | 180.0° |
| H44 | C50 | C49 | H41 | 64.5° | 60.0° |
| H44 | C50 | C49 | H42 | 55.5° | 60.0° |
| C48 | C49 | H41 | H42 | 117.8° | 120.0° |
| C49 | C48 | H39 | H40 | 118.8° | 120.0° |
| H41 | C49 | C48 | H39 | 73.9° | 60.0° |
| H41 | C49 | C48 | H40 | 46.1° | 60.0° |
| H42 | C49 | C48 | H39 | 46.0° | 60.1° |
| H42 | C49 | C48 | H40 | 166.0° | 180.0° |
| N28 | C27 | C29 | C25 | 115.6° | 119.2° |
| N28 | C27 | C29 | H20 | 122.4° | 120.4° |
| N28 | C27 | C25 | H20 | 122.4° | 119.9° |
| N28 | C27 | C25 | N24 | 0.7° | 175.4° |
| N28 | C27 | C25 | O26 | 155.2° | 4.7° |
| N28 | C27 | C29 | H22 | 75.0° | 55.0° |
| N28 | C27 | C29 | H23 | 164.9° | 175.0° |
| N28 | C27 | C29 | C30 | 44.9° | 65.0° |
| H21 | N28 | C27 | C29 | 65.4° | 23.7° |
| H21 | N28 | C27 | C25 | 56.7° | 96.0° |
| H21 | N28 | C27 | H20 | 178.6° | 144.1° |
| C29 | C27 | C25 | H20 | 116.0° | 120.3° |
| C29 | C27 | C25 | N24 | 122.4° | 55.6° |
| C29 | C27 | C25 | O26 | 83.1° | 124.4° |
| C27 | C29 | H22 | H23 | 120.7° | 120.0° |
| C27 | C29 | H22 | C30 | 118.5° | 120.0° |
| C27 | C29 | H23 | C30 | 118.5° | 120.0° |
| C27 | C29 | C30 | C47 | 80.5° | 90.0° |
| C27 | C29 | C30 | C43 | 101.2° | 90.3° |
| C27 | C25 | N24 | O26 | 153.4° | 180.0° |
| C25 | C27 | C29 | H22 | 40.5° | 64.2° |
| C25 | C27 | C29 | H23 | 79.5° | 55.8° |
| C25 | C27 | C29 | C30 | 160.5° | 175.8° |
| C27 | C25 | N24 | C23 | 178.8° | 178.6° |
| C27 | C25 | N24 | H19 | 1.2° | 1.3° |
| H20 | C27 | C25 | N24 | 121.7° | 64.8° |
| H20 | C27 | C25 | O26 | 32.8° | 115.2° |
| H20 | C27 | C29 | H22 | 162.5° | 175.4° |
| H20 | C27 | C29 | H23 | 42.5° | 64.7° |
| H20 | C27 | C29 | C30 | 77.5° | 55.4° |
| C25 | N24 | C23 | C21 | 152.7° | 65.4° |
| C25 | N24 | C23 | C31 | 86.3° | 54.1° |
| C25 | N24 | C23 | H18 | 32.4° | 175.1° |
| C25 | N24 | C23 | H19 | 180.0° | 179.9° |
| O26 | C25 | N24 | C23 | 25.4° | 1.4° |
| O26 | C25 | N24 | H19 | 154.6° | 178.7° |
| H22 | C29 | H23 | C30 | 120.7° | 120.0° |
| H22 | C29 | C30 | C47 | 159.5° | 30.0° |
| H22 | C29 | C30 | C43 | 18.8° | 149.7° |
| H23 | C29 | C30 | C47 | 39.5° | 150.0° |
| H23 | C29 | C30 | C43 | 138.8° | 29.7° |
| C29 | C30 | C47 | C43 | 178.3° | 179.7° |
| C29 | C30 | C47 | H38 | 8.4° | 0.1° |
| C29 | C30 | C43 | H34 | 11.7° | 0.0° |
| C29 | C30 | C47 | C46 | 171.6° | 180.0° |
| C29 | C30 | C43 | C44 | 168.3° | 180.0° |
| C30 | C47 | H38 | C46 | 180.0° | 179.9° |
| C47 | C30 | C43 | H34 | 170.0° | 179.7° |
| C30 | C47 | C46 | H37 | 173.7° | 179.9° |
| C47 | C30 | C43 | C44 | 10.0° | 0.3° |
| C30 | C47 | C46 | C45 | 6.4° | 0.1° |
| H38 | C47 | C30 | C43 | 173.2° | 179.7° |
| H38 | C47 | C46 | H37 | 6.4° | 0.1° |
| H38 | C47 | C46 | C45 | 173.6° | 180.0° |
| C30 | C43 | H34 | C44 | 180.0° | 180.0° |
| C43 | C30 | C47 | C46 | 6.7° | 0.4° |
| C30 | C43 | C44 | H35 | 167.3° | 180.0° |
| C30 | C43 | C44 | C45 | 12.7° | NaN° |
| H34 | C43 | C44 | H35 | 12.7° | 0.1° |
| H34 | C43 | C44 | C45 | 167.3° | 180.0° |
| C47 | C46 | H37 | C45 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 9.1° | 0.2° |
| C47 | C46 | C45 | H36 | 171.0° | 180.0° |
| H37 | C46 | C45 | C44 | 170.9° | 179.7° |
| H37 | C46 | C45 | H36 | 9.0° | 0.0° |
| C43 | C44 | H35 | C45 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 12.0° | 0.3° |
| C43 | C44 | C45 | H36 | 168.0° | 180.0° |
| H35 | C44 | C45 | C46 | 168.0° | 179.7° |
| H35 | C44 | C45 | H36 | 12.0° | 0.1° |
| C46 | C45 | C44 | H36 | 180.0° | 179.8° |
| N20 | C21 | C23 | O22 | 162.9° | 179.3° |
| N20 | C21 | C23 | C31 | 90.5° | 37.7° |
| N20 | C21 | C23 | H18 | 28.2° | 82.9° |
| N20 | C21 | C23 | N24 | 149.1° | 157.4° |
| C21 | N20 | C19 | C18 | 92.9° | 70.7° |
| C21 | N20 | C19 | H17 | 180.0° | 179.2° |
| C21 | N20 | C19 | H15 | 27.1° | 169.5° |
| C21 | N20 | C19 | H16 | 147.1° | 49.2° |
| C21 | C23 | C31 | H18 | 120.2° | 120.6° |
| C21 | C23 | C31 | N24 | 118.9° | 118.3° |
| C21 | C23 | H18 | N24 | 118.8° | 118.3° |
| C21 | C23 | N24 | H19 | 27.4° | 114.5° |
| C21 | C23 | C31 | C32 | 175.9° | 178.6° |
| C21 | C23 | C31 | H24 | 64.1° | 61.4° |
| C21 | C23 | C31 | H25 | 55.9° | 58.6° |
| C23 | C21 | N20 | C19 | 174.9° | 179.6° |
| C23 | C21 | N20 | H17 | 5.1° | 1.2° |
| O22 | C21 | C23 | C31 | 72.4° | 141.6° |
| O22 | C21 | C23 | H18 | 168.9° | 97.8° |
| O22 | C21 | C23 | N24 | 48.0° | 21.9° |
| O22 | C21 | N20 | C19 | 11.8° | 1.1° |
| O22 | C21 | N20 | H17 | 168.3° | 178.1° |
| C31 | C23 | H18 | N24 | 120.2° | 121.1° |
| C31 | C23 | N24 | H19 | 93.7° | 126.0° |
| C23 | C31 | C32 | H24 | 120.0° | 120.0° |
| C23 | C31 | C32 | H25 | 120.0° | 120.0° |
| C23 | C31 | H24 | H25 | 119.5° | 120.0° |
| C23 | C31 | C32 | C33 | 158.8° | 180.0° |
| C23 | C31 | C32 | H26 | 38.8° | 60.0° |
| C23 | C31 | C32 | H27 | 81.2° | 60.0° |
| H18 | C23 | N24 | H19 | 147.6° | 5.0° |
| H18 | C23 | C31 | C32 | 55.7° | 58.0° |
| H18 | C23 | C31 | H24 | 175.7° | 178.0° |
| H18 | C23 | C31 | H25 | 64.3° | 62.1° |
| N24 | C23 | C31 | C32 | 65.2° | 63.1° |
| N24 | C23 | C31 | H24 | 54.8° | 56.9° |
| N24 | C23 | C31 | H25 | 174.8° | 176.9° |
| C32 | C31 | H24 | H25 | 119.5° | 120.0° |
| C31 | C32 | C33 | H26 | 120.0° | 120.0° |
| C31 | C32 | C33 | H27 | 120.0° | 120.0° |
| C31 | C32 | H26 | H27 | 120.8° | 120.0° |
| C31 | C32 | C33 | N34 | 145.5° | 180.0° |
| C31 | C32 | C33 | H28 | 25.5° | 60.1° |
| C31 | C32 | C33 | H29 | 94.4° | 60.0° |
| H24 | C31 | C32 | C33 | 81.2° | 60.0° |
| H24 | C31 | C32 | H26 | 158.7° | 180.0° |
| H24 | C31 | C32 | H27 | 38.8° | 60.0° |
| H25 | C31 | C32 | C33 | 38.8° | 60.0° |
| H25 | C31 | C32 | H26 | 81.2° | 60.0° |
| H25 | C31 | C32 | H27 | 158.8° | 180.0° |
| C33 | C32 | H26 | H27 | 120.9° | 120.0° |
| C32 | C33 | N34 | H28 | 120.0° | 119.9° |
| C32 | C33 | N34 | H29 | 120.0° | 120.0° |
| C32 | C33 | H28 | H29 | 120.1° | 120.1° |
| C32 | C33 | N34 | C35 | 139.8° | 180.0° |
| C32 | C33 | N34 | H30 | 40.1° | 0.1° |
| H26 | C32 | C33 | N34 | 94.5° | 60.0° |
| H26 | C32 | C33 | H28 | 145.5° | 179.9° |
| H26 | C32 | C33 | H29 | 25.5° | 60.0° |
| H27 | C32 | C33 | N34 | 25.5° | 59.9° |
| H27 | C32 | C33 | H28 | 94.5° | 60.0° |
| H27 | C32 | C33 | H29 | 145.6° | 179.9° |
| N34 | C33 | H28 | H29 | 120.1° | 120.0° |
| C33 | N34 | C35 | H30 | 180.0° | 179.9° |
| C33 | N34 | C35 | C37 | 175.9° | 180.0° |
| C33 | N34 | C35 | O36 | 12.4° | 0.1° |
| H28 | C33 | N34 | C35 | 100.1° | 60.1° |
| H28 | C33 | N34 | H30 | 79.9° | 120.0° |
| H29 | C33 | N34 | C35 | 19.8° | 60.0° |
| H29 | C33 | N34 | H30 | 160.2° | 119.9° |
| N34 | C35 | C37 | O36 | 163.6° | 179.9° |
| N34 | C35 | C37 | C42 | 158.9° | 180.0° |
| N34 | C35 | C37 | N38 | 12.5° | 0.2° |
| H30 | N34 | C35 | C37 | 4.1° | 0.1° |
| H30 | N34 | C35 | O36 | 167.6° | 180.0° |
| C35 | C37 | C42 | N38 | 171.0° | 179.8° |
| C35 | C37 | N38 | C39 | 173.8° | 180.0° |
| C35 | C37 | C42 | N41 | 178.2° | 179.7° |
| C35 | C37 | C42 | H33 | 1.8° | 0.1° |
| O36 | C35 | C37 | C42 | 4.7° | 0.1° |
| O36 | C35 | C37 | N38 | 176.1° | 179.7° |
| C42 | C37 | N38 | C39 | 15.1° | 0.2° |
| C37 | C42 | N41 | C40 | 7.6° | 0.5° |
| C37 | C42 | N41 | H33 | 180.0° | 179.8° |
| N38 | C39 | C40 | H31 | 180.0° | 180.0° |
| N38 | C39 | C40 | N41 | 24.2° | 0.0° |
| N38 | C39 | C40 | H32 | 155.8° | 180.0° |
| C37 | N38 | C39 | C40 | 23.0° | 0.0° |
| C37 | N38 | C39 | H31 | 157.0° | 180.0° |
| N38 | C37 | C42 | N41 | 7.3° | 0.5° |
| N38 | C37 | C42 | H33 | 172.7° | 179.7° |
| C39 | C40 | N41 | H32 | 180.0° | 180.0° |
| C39 | C40 | N41 | C42 | 15.9° | 0.2° |
| H31 | C39 | C40 | N41 | 155.8° | 180.0° |
| H31 | C39 | C40 | H32 | 24.2° | 0.0° |
| C40 | N41 | C42 | H33 | 172.4° | 179.7° |
| H32 | C40 | N41 | C42 | 164.1° | 179.8° |
| N5 | C3 | C18 | H2 | 117.9° | 120.0° |
| N5 | C3 | C18 | C2 | 121.5° | 120.0° |
| N5 | C3 | H2 | C2 | 120.8° | 120.0° |
| N5 | C3 | C2 | O1 | 175.7° | 160.0° |
| N5 | C3 | C2 | O4 | 32.8° | 20.0° |
| N5 | C3 | C18 | C19 | 49.9° | 177.0° |
| N5 | C3 | C18 | H13 | 70.1° | 57.2° |
| N5 | C3 | C18 | H14 | 169.9° | 63.1° |
| H3 | N5 | C3 | C18 | 20.7° | 157.9° |
| H3 | N5 | C3 | H2 | 141.1° | 82.1° |
| H3 | N5 | C3 | C2 | 98.3° | 37.9° |
| C18 | C3 | H2 | C2 | 118.3° | 120.0° |
| C18 | C3 | C2 | O1 | 62.7° | 80.0° |
| C18 | C3 | C2 | O4 | 88.8° | 100.0° |
| C3 | C18 | C19 | H13 | 120.0° | 119.8° |
| C3 | C18 | C19 | H14 | 120.0° | 119.8° |
| C3 | C18 | H13 | H14 | 118.4° | 120.2° |
| C3 | C18 | C19 | N20 | 56.6° | 175.2° |
| C3 | C18 | C19 | H15 | 63.4° | 55.3° |
| C3 | C18 | C19 | H16 | 176.6° | 65.0° |
| H2 | C3 | C2 | O1 | 57.8° | 40.0° |
| H2 | C3 | C2 | O4 | 150.7° | 140.0° |
| H2 | C3 | C18 | C19 | 68.0° | 57.0° |
| H2 | C3 | C18 | H13 | 172.0° | 62.9° |
| H2 | C3 | C18 | H14 | 51.9° | 176.9° |
| O1 | C2 | C3 | O4 | 151.5° | 180.0° |
| C2 | C3 | C18 | C19 | 171.3° | 63.0° |
| C2 | C3 | C18 | H13 | 51.4° | 177.2° |
| C2 | C3 | C18 | H14 | 68.7° | 56.9° |
| C3 | C2 | O1 | H1 | 151.3° | 180.0° |
| O4 | C2 | O1 | H1 | 0.0° | 0.0° |
| C19 | C18 | H13 | H14 | 118.3° | 120.4° |
| C18 | C19 | N20 | H15 | 120.0° | 119.9° |
| C18 | C19 | N20 | H16 | 120.0° | 119.9° |
| C18 | C19 | H15 | H16 | 120.7° | 120.2° |
| C18 | C19 | N20 | H17 | 87.1° | 108.5° |
| H13 | C18 | C19 | N20 | 176.6° | 65.0° |
| H13 | C18 | C19 | H15 | 56.6° | 175.1° |
| H13 | C18 | C19 | H16 | 63.4° | 54.8° |
| H14 | C18 | C19 | N20 | 63.4° | 55.4° |
| H14 | C18 | C19 | H15 | 176.6° | 64.5° |
| H14 | C18 | C19 | H16 | 56.6° | 175.2° |
| N20 | C19 | H15 | H16 | 120.7° | 120.2° |
| H15 | C19 | N20 | H17 | 153.0° | 11.3° |
| H16 | C19 | N20 | H17 | 33.0° | 131.6° |
| H4 | C8 | C9 | H6 | 55.2° | 2.1° |
