PVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C2 | sing | 1.51Å | 1.58Å | |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C2 | C1 | sing | 1.47Å | 1.40Å | |
| C2 | C3 | doub | 1.33Å | 1.37Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C3 | C31 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| N1 | C4 | sing | 1.47Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| C41 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C51 | sing | 1.51Å | 1.56Å | |
| C9 | C10 | sing | 1.40Å | 1.43Å | |
| N4 | C16 | sing | 1.39Å | 1.38Å | |
| N4 | C19 | sing | 1.35Å | 1.35Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | |
| C15 | C14 | sing | 1.46Å | 1.41Å | |
| C51 | C52 | sing | 1.53Å | 1.56Å | |
| N3 | C14 | doub | 1.33Å | 1.33Å | |
| N3 | C11 | sing | 1.34Å | 1.34Å | |
| O19 | C19 | doub | 1.22Å | 1.23Å | |
| C16 | C17 | sing | 1.41Å | 1.42Å | |
| C19 | C18 | sing | 1.41Å | 1.39Å | |
| C14 | C13 | sing | 1.42Å | 1.40Å | |
| C10 | C11 | doub | 1.40Å | 1.42Å | |
| C52 | C53 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.42Å | 1.42Å | |
| O54 | C53 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | doub | 1.36Å | 1.39Å | |
| C17 | C81 | sing | 1.51Å | 1.51Å | |
| C18 | C91 | sing | 1.51Å | 1.57Å | |
| C53 | O55 | sing | 1.34Å | 1.26Å | |
| C13 | C12 | doub | 1.36Å | 1.38Å | |
| C13 | C71 | sing | 1.51Å | 1.59Å | |
| C91 | C92 | sing | 1.53Å | 1.61Å | |
| C12 | C61 | sing | 1.51Å | 1.53Å | |
| C61 | C62 | sing | 1.53Å | 1.57Å | |
| O65 | C63 | doub | 1.21Å | 1.25Å | |
| O64 | C63 | sing | 1.34Å | 1.25Å | |
| C63 | C62 | sing | 1.51Å | 1.52Å | |
| C32 | H1 | sing | 1.09Å | 1.10Å | |
| C32 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| C31 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C41 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C51 | H19 | sing | 1.09Å | 1.10Å | |
| C51 | H20 | sing | 1.09Å | 1.10Å | |
| C52 | H21 | sing | 1.09Å | 1.10Å | |
| C52 | H22 | sing | 1.09Å | 1.10Å | |
| O55 | H23 | sing | 0.97Å | 0.95Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å | |
| C61 | H27 | sing | 1.09Å | 1.10Å | |
| C61 | H28 | sing | 1.09Å | 1.10Å | |
| C62 | H29 | sing | 1.09Å | 1.10Å | |
| C62 | H30 | sing | 1.09Å | 1.10Å | |
| O64 | H31 | sing | 0.97Å | 0.95Å | |
| C71 | H32 | sing | 1.09Å | 1.10Å | |
| C71 | H33 | sing | 1.09Å | 1.10Å | |
| C71 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.08Å | 1.08Å | |
| C81 | H37 | sing | 1.09Å | 1.10Å | |
| C81 | H38 | sing | 1.09Å | 1.10Å | |
| C81 | H39 | sing | 1.09Å | 1.10Å | |
| C91 | H40 | sing | 1.09Å | 1.10Å | |
| C91 | H41 | sing | 1.09Å | 1.10Å | |
| C92 | H42 | sing | 1.09Å | 1.10Å | |
| C92 | H43 | sing | 1.09Å | 1.10Å | |
| C92 | H44 | sing | 1.09Å | 1.10Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C2 | C1 | 124.5° | 125.1° |
| C21 | C2 | C3 | 126.8° | 125.1° |
| C2 | C21 | H8 | 109.5° | 109.5° |
| C2 | C21 | H9 | 109.5° | 109.5° |
| C2 | C21 | H10 | 109.5° | 109.5° |
| O1 | C1 | C2 | 124.4° | 125.0° |
| O1 | C1 | N1 | 124.2° | 125.0° |
| C1 | C2 | C3 | 108.0° | 109.8° |
| C2 | C1 | N1 | 110.9° | 110.0° |
| C2 | C3 | C31 | 128.6° | 126.5° |
| C2 | C3 | C4 | 101.0° | 107.0° |
| C1 | N1 | C4 | 103.5° | 107.3° |
| C1 | N1 | H11 | 128.2° | 126.3° |
| C32 | C31 | C3 | 113.6° | 109.4° |
| C31 | C32 | H1 | 109.5° | 109.5° |
| C31 | C32 | H2 | 109.5° | 109.5° |
| C31 | C32 | H3 | 109.4° | 109.5° |
| C32 | C31 | H4 | 108.4° | 109.4° |
| C32 | C31 | H5 | 108.4° | 109.5° |
| C31 | C3 | C4 | 121.5° | 126.5° |
| C3 | C31 | H4 | 108.4° | 109.5° |
| C3 | C31 | H5 | 108.4° | 109.5° |
| C3 | C4 | N1 | 104.6° | 105.9° |
| C3 | C4 | C5 | 126.7° | 110.2° |
| C3 | C4 | H12 | 95.8° | 110.2° |
| N1 | C4 | C5 | 125.6° | 110.3° |
| C4 | N1 | H11 | 128.3° | 126.4° |
| N1 | C4 | H12 | 96.0° | 110.0° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C5 | C4 | H12 | 95.6° | 110.2° |
| C4 | C5 | H13 | 108.9° | 109.4° |
| C4 | C5 | H14 | 108.9° | 109.5° |
| C5 | C6 | C7 | 126.1° | 125.4° |
| C5 | C6 | N2 | 125.4° | 125.4° |
| C6 | C5 | H13 | 108.9° | 109.5° |
| C6 | C5 | H14 | 108.9° | 109.5° |
| C41 | C7 | C6 | 125.5° | 126.0° |
| C41 | C7 | C8 | 125.8° | 126.0° |
| C7 | C41 | H16 | 109.5° | 109.5° |
| C7 | C41 | H17 | 109.4° | 109.5° |
| C7 | C41 | H18 | 109.5° | 109.5° |
| C7 | C6 | N2 | 108.1° | 109.2° |
| C6 | C7 | C8 | 108.6° | 108.1° |
| C6 | N2 | C9 | 109.7° | 108.7° |
| C6 | N2 | H15 | 125.1° | 125.7° |
| C7 | C8 | C9 | 105.8° | 106.8° |
| C7 | C8 | C51 | 125.3° | 126.6° |
| N2 | C9 | C8 | 107.7° | 107.2° |
| N2 | C9 | C10 | 129.7° | 126.4° |
| C9 | N2 | H15 | 125.1° | 125.6° |
| C9 | C8 | C51 | 128.8° | 126.6° |
| C8 | C9 | C10 | 122.6° | 126.4° |
| C8 | C51 | C52 | 108.0° | 109.5° |
| C8 | C51 | H19 | 109.9° | 109.4° |
| C8 | C51 | H20 | 109.9° | 109.4° |
| C9 | C10 | C11 | 118.6° | 120.0° |
| C9 | C10 | H24 | 120.7° | 120.0° |
| C16 | N4 | C19 | 107.2° | 108.3° |
| N4 | C16 | C15 | 127.5° | 126.2° |
| N4 | C16 | C17 | 107.3° | 107.5° |
| C16 | N4 | H6 | 126.4° | 125.8° |
| N4 | C19 | O19 | 124.6° | 125.7° |
| N4 | C19 | C18 | 112.1° | 108.7° |
| C19 | N4 | H6 | 126.4° | 125.8° |
| C16 | C15 | C14 | 130.6° | 120.0° |
| C15 | C16 | C17 | 125.0° | 126.2° |
| C16 | C15 | H35 | 114.7° | 120.0° |
| C15 | C14 | N3 | 126.4° | 125.7° |
| C15 | C14 | C13 | 126.2° | 125.7° |
| C14 | C15 | H35 | 114.7° | 120.0° |
| C51 | C52 | C53 | 108.3° | 109.5° |
| C52 | C51 | H19 | 109.8° | 109.5° |
| C52 | C51 | H20 | 109.8° | 109.5° |
| C51 | C52 | H21 | 109.7° | 109.4° |
| C51 | C52 | H22 | 109.8° | 109.5° |
| C14 | N3 | C11 | 111.4° | 109.5° |
| N3 | C14 | C13 | 106.7° | 108.6° |
| N3 | C11 | C10 | 128.2° | 125.8° |
| N3 | C11 | C12 | 107.4° | 108.3° |
| O19 | C19 | C18 | 123.3° | 125.7° |
| C16 | C17 | C18 | 108.6° | 107.4° |
| C16 | C17 | C81 | 127.4° | 126.3° |
| C19 | C18 | C17 | 104.6° | 108.1° |
| C19 | C18 | C91 | 126.6° | 126.0° |
| C14 | C13 | C12 | 108.2° | 106.9° |
| C14 | C13 | C71 | 128.9° | 126.5° |
| C10 | C11 | C12 | 124.4° | 125.9° |
| C11 | C10 | H24 | 120.7° | 120.0° |
| C52 | C53 | O54 | 115.0° | 120.0° |
| C52 | C53 | O55 | 117.8° | 120.0° |
| C53 | C52 | H21 | 109.8° | 109.5° |
| C53 | C52 | H22 | 109.8° | 109.5° |
| C11 | C12 | C13 | 105.9° | 106.8° |
| C11 | C12 | C61 | 129.0° | 126.6° |
| O54 | C53 | O55 | 125.5° | 120.0° |
| C18 | C17 | C81 | 123.9° | 126.3° |
| C17 | C18 | C91 | 128.6° | 125.9° |
| C17 | C81 | H37 | 109.5° | 109.5° |
| C17 | C81 | H38 | 109.4° | 109.5° |
| C17 | C81 | H39 | 109.5° | 109.4° |
| C18 | C91 | C92 | 110.9° | 109.5° |
| C18 | C91 | H40 | 109.1° | 109.4° |
| C18 | C91 | H41 | 109.1° | 109.5° |
| C53 | O55 | H23 | 109.5° | 117.0° |
| C12 | C13 | C71 | 122.8° | 126.6° |
| C13 | C12 | C61 | 125.0° | 126.6° |
| C13 | C71 | H32 | 109.5° | 109.5° |
| C13 | C71 | H33 | 109.5° | 109.5° |
| C13 | C71 | H34 | 109.5° | 109.4° |
| C92 | C91 | H40 | 109.1° | 109.4° |
| C92 | C91 | H41 | 109.1° | 109.5° |
| C91 | C92 | H42 | 109.5° | 109.5° |
| C91 | C92 | H43 | 109.5° | 109.4° |
| C91 | C92 | H44 | 109.5° | 109.5° |
| C12 | C61 | C62 | 111.6° | 109.5° |
| C12 | C61 | H27 | 109.0° | 109.4° |
| C12 | C61 | H28 | 108.9° | 109.5° |
| C61 | C62 | C63 | 108.6° | 109.5° |
| C62 | C61 | H27 | 109.0° | 109.5° |
| C62 | C61 | H28 | 109.0° | 109.5° |
| C61 | C62 | H29 | 109.7° | 109.5° |
| C61 | C62 | H30 | 109.7° | 109.5° |
| O65 | C63 | O64 | 126.1° | 120.0° |
| O65 | C63 | C62 | 116.6° | 120.0° |
| O64 | C63 | C62 | 116.8° | 120.0° |
| C63 | O64 | H31 | 109.5° | 117.0° |
| C63 | C62 | H29 | 109.7° | 109.5° |
| C63 | C62 | H30 | 109.7° | 109.5° |
| H1 | C32 | H2 | 109.5° | 109.4° |
| H1 | C32 | H3 | 109.5° | 109.5° |
| H2 | C32 | H3 | 109.5° | 109.4° |
| H4 | C31 | H5 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H8 | C21 | H10 | 109.5° | 109.4° |
| H9 | C21 | H10 | 109.4° | 109.4° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H16 | C41 | H17 | 109.5° | 109.5° |
| H16 | C41 | H18 | 109.5° | 109.5° |
| H17 | C41 | H18 | 109.5° | 109.5° |
| H19 | C51 | H20 | 109.5° | 109.5° |
| H21 | C52 | H22 | 109.4° | 109.5° |
| H27 | C61 | H28 | 109.4° | 109.5° |
| H29 | C62 | H30 | 109.5° | 109.4° |
| H32 | C71 | H33 | 109.4° | 109.5° |
| H32 | C71 | H34 | 109.5° | 109.5° |
| H33 | C71 | H34 | 109.5° | 109.4° |
| H37 | C81 | H38 | 109.5° | 109.5° |
| H37 | C81 | H39 | 109.5° | 109.4° |
| H38 | C81 | H39 | 109.5° | 109.4° |
| H40 | C91 | H41 | 109.4° | 109.5° |
| H42 | C92 | H43 | 109.5° | 109.5° |
| H42 | C92 | H44 | 109.4° | 109.5° |
| H43 | C92 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C2 | C1 | O1 | 2.9° | 0.0° |
| C21 | C2 | C1 | C3 | 170.7° | 180.0° |
| C21 | C2 | C1 | N1 | 175.6° | 180.0° |
| C21 | C2 | C3 | C31 | 19.1° | 0.1° |
| C21 | C2 | C3 | C4 | 166.0° | 179.8° |
| C2 | C21 | H8 | H9 | 120.0° | 120.0° |
| C2 | C21 | H8 | H10 | 120.0° | 120.0° |
| C2 | C21 | H9 | H10 | 120.0° | 120.0° |
| O1 | C1 | C2 | N1 | 172.7° | 180.0° |
| O1 | C1 | C2 | C3 | 167.8° | 180.0° |
| O1 | C1 | N1 | C4 | 170.0° | 179.7° |
| O1 | C1 | N1 | H11 | 10.0° | 0.0° |
| C1 | C2 | C3 | C31 | 170.4° | 179.9° |
| C1 | C2 | C3 | C4 | 23.6° | 0.3° |
| C2 | C1 | N1 | C4 | 17.3° | 0.3° |
| C1 | C2 | C21 | H8 | 180.0° | 0.0° |
| C1 | C2 | C21 | H9 | 60.0° | 120.1° |
| C1 | C2 | C21 | H10 | 60.0° | 120.0° |
| C2 | C1 | N1 | H11 | 162.8° | 180.0° |
| C3 | C2 | C1 | N1 | 5.0° | 0.0° |
| C2 | C3 | C31 | C32 | 93.3° | 95.2° |
| C2 | C3 | C31 | C4 | 141.0° | 179.6° |
| C2 | C3 | C4 | N1 | 34.0° | 0.4° |
| C2 | C3 | C4 | C5 | 126.8° | 118.8° |
| C2 | C3 | C31 | H4 | 27.3° | 24.7° |
| C2 | C3 | C31 | H5 | 146.1° | 144.8° |
| C3 | C2 | C21 | H8 | 11.1° | 180.0° |
| C3 | C2 | C21 | H9 | 131.1° | 59.9° |
| C3 | C2 | C21 | H10 | 108.9° | 60.1° |
| C2 | C3 | C4 | H12 | 131.8° | 119.4° |
| C1 | N1 | C4 | C3 | 31.4° | 0.4° |
| C1 | N1 | C4 | H11 | 180.0° | 179.7° |
| C1 | N1 | C4 | C5 | 129.6° | 118.8° |
| C1 | N1 | C4 | H12 | 129.1° | 119.5° |
| C32 | C31 | C3 | H4 | 120.6° | 119.9° |
| C32 | C31 | C3 | H5 | 120.6° | 120.0° |
| C32 | C31 | C3 | C4 | 125.7° | 85.2° |
| C31 | C32 | H1 | H2 | 120.0° | 120.0° |
| C31 | C32 | H1 | H3 | 120.0° | 120.0° |
| C31 | C32 | H2 | H3 | 120.0° | 120.0° |
| C32 | C31 | H4 | H5 | 118.1° | 120.0° |
| C31 | C3 | C4 | N1 | 176.1° | 179.9° |
| C31 | C3 | C4 | C5 | 23.1° | 60.8° |
| C3 | C31 | C32 | H1 | 180.0° | 64.9° |
| C3 | C31 | C32 | H2 | 60.0° | 55.1° |
| C3 | C31 | C32 | H3 | 60.0° | 175.1° |
| C3 | C31 | H4 | H5 | 118.1° | 120.0° |
| C31 | C3 | C4 | H12 | 78.3° | 61.0° |
| C3 | C4 | N1 | C5 | 161.0° | 119.2° |
| C3 | C4 | N1 | H12 | 97.7° | 119.0° |
| C3 | C4 | C5 | H12 | 101.6° | 121.8° |
| C3 | C4 | C5 | C6 | 157.9° | 174.3° |
| C4 | C3 | C31 | H4 | 113.7° | 154.9° |
| C4 | C3 | C31 | H5 | 5.1° | 34.8° |
| C3 | C4 | N1 | H11 | 148.6° | 179.9° |
| C3 | C4 | C5 | H13 | 81.7° | 65.7° |
| C3 | C4 | C5 | H14 | 37.6° | 54.2° |
| N1 | C4 | C5 | H12 | 101.5° | 121.7° |
| N1 | C4 | C5 | C6 | 45.2° | 69.2° |
| N1 | C4 | C5 | H13 | 75.2° | 50.8° |
| N1 | C4 | C5 | H14 | 165.5° | 170.8° |
| C4 | C5 | C6 | H13 | 120.3° | 120.0° |
| C4 | C5 | C6 | H14 | 120.3° | 120.0° |
| C4 | C5 | C6 | C7 | 97.4° | 92.6° |
| C4 | C5 | C6 | N2 | 91.0° | 87.1° |
| C5 | C4 | N1 | H11 | 50.4° | 60.9° |
| C4 | C5 | H13 | H14 | 119.0° | 120.0° |
| C5 | C6 | C7 | C41 | 6.7° | 0.1° |
| C5 | C6 | C7 | N2 | 172.8° | 179.7° |
| C5 | C6 | C7 | C8 | 174.3° | 180.0° |
| C5 | C6 | N2 | C9 | 174.5° | 180.0° |
| C6 | C5 | C4 | H12 | 56.4° | 52.5° |
| C6 | C5 | H13 | H14 | 119.0° | 120.0° |
| C5 | C6 | N2 | H15 | 5.5° | 0.1° |
| C41 | C7 | C6 | C8 | 179.0° | 179.9° |
| C41 | C7 | C6 | N2 | 179.5° | 179.7° |
| C41 | C7 | C8 | C9 | 179.8° | 179.9° |
| C41 | C7 | C8 | C51 | 1.0° | 0.0° |
| C7 | C41 | H16 | H17 | 120.0° | 120.0° |
| C7 | C41 | H16 | H18 | 120.0° | 120.0° |
| C7 | C41 | H17 | H18 | 120.0° | 120.0° |
| C7 | C6 | N2 | C9 | 1.6° | 0.3° |
| C6 | C7 | C8 | C9 | 0.8° | 0.2° |
| C6 | C7 | C8 | C51 | 180.0° | 180.0° |
| C7 | C6 | C5 | H13 | 22.9° | 27.4° |
| C7 | C6 | C5 | H14 | 142.3° | 147.4° |
| C7 | C6 | N2 | H15 | 178.4° | 179.8° |
| C6 | C7 | C41 | H16 | 90.6° | 89.9° |
| C6 | C7 | C41 | H17 | 149.4° | 150.0° |
| C6 | C7 | C41 | H18 | 29.4° | 30.1° |
| N2 | C6 | C7 | C8 | 1.5° | 0.3° |
| C6 | N2 | C9 | H15 | 180.0° | 179.9° |
| C6 | N2 | C9 | C8 | 1.1° | 0.2° |
| C6 | N2 | C9 | C10 | 179.8° | 180.0° |
| N2 | C6 | C5 | H13 | 148.7° | 153.0° |
| N2 | C6 | C5 | H14 | 29.3° | 33.0° |
| C7 | C8 | C9 | N2 | 0.2° | 0.0° |
| C7 | C8 | C9 | C51 | 179.2° | 179.8° |
| C7 | C8 | C9 | C10 | 178.9° | 179.9° |
| C7 | C8 | C51 | C52 | 94.2° | 90.0° |
| C8 | C7 | C41 | H16 | 90.6° | 90.0° |
| C8 | C7 | C41 | H17 | 29.4° | 30.0° |
| C8 | C7 | C41 | H18 | 149.4° | 150.0° |
| C7 | C8 | C51 | H19 | 146.1° | 150.0° |
| C7 | C8 | C51 | H20 | 25.6° | 30.0° |
| N2 | C9 | C8 | C10 | 178.7° | 179.9° |
| N2 | C9 | C8 | C51 | 179.0° | 179.9° |
| N2 | C9 | C10 | C11 | 20.0° | 15.6° |
| N2 | C9 | C10 | H24 | 159.9° | 164.4° |
| C9 | C8 | C51 | C52 | 84.9° | 90.2° |
| C8 | C9 | C10 | C11 | 161.5° | 164.3° |
| C8 | C9 | N2 | H15 | 178.9° | 179.9° |
| C9 | C8 | C51 | H19 | 34.9° | 29.8° |
| C9 | C8 | C51 | H20 | 155.4° | 149.8° |
| C8 | C9 | C10 | H24 | 18.5° | 15.7° |
| C51 | C8 | C9 | C10 | 0.3° | 0.0° |
| C8 | C51 | C52 | H19 | 119.8° | 120.0° |
| C8 | C51 | C52 | H20 | 119.8° | 120.0° |
| C8 | C51 | C52 | C53 | 179.1° | NaN° |
| C8 | C51 | H19 | H20 | 120.7° | 120.0° |
| C8 | C51 | C52 | H21 | 59.3° | 60.0° |
| C8 | C51 | C52 | H22 | 61.0° | 60.0° |
| C9 | C10 | C11 | N3 | 3.0° | 6.0° |
| C9 | C10 | C11 | H24 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 177.4° | 174.3° |
| C10 | C9 | N2 | H15 | 0.2° | 0.0° |
| C16 | N4 | C19 | H6 | 180.0° | 179.8° |
| N4 | C16 | C15 | C17 | 174.3° | 179.7° |
| N4 | C16 | C15 | C14 | 165.3° | 172.8° |
| C16 | N4 | C19 | O19 | 177.6° | 179.8° |
| C16 | N4 | C19 | C18 | 2.7° | 0.3° |
| N4 | C16 | C17 | C18 | 5.8° | 0.2° |
| N4 | C16 | C17 | C81 | 177.3° | 179.7° |
| N4 | C16 | C15 | H35 | 14.7° | 7.1° |
| C19 | N4 | C16 | C15 | 179.8° | 179.9° |
| N4 | C19 | O19 | C18 | 179.6° | 179.8° |
| C19 | N4 | C16 | C17 | 5.1° | 0.4° |
| N4 | C19 | C18 | C17 | 0.9° | 0.2° |
| N4 | C19 | C18 | C91 | 175.9° | 179.7° |
| C16 | C15 | C14 | H35 | 180.0° | 179.9° |
| C16 | C15 | C14 | N3 | 138.6° | 42.5° |
| C16 | C15 | C14 | C13 | 52.7° | 137.2° |
| C15 | C16 | C17 | C18 | 179.0° | 180.0° |
| C15 | C16 | C17 | C81 | 2.1° | 0.1° |
| C15 | C16 | N4 | H6 | 0.2° | 0.1° |
| C15 | C14 | N3 | C13 | 170.5° | 179.8° |
| C15 | C14 | N3 | C11 | 176.8° | 180.0° |
| C14 | C15 | C16 | C17 | 20.5° | 7.5° |
| C15 | C14 | C13 | C12 | 175.6° | 179.8° |
| C15 | C14 | C13 | C71 | 3.7° | 0.1° |
| C51 | C52 | C53 | H21 | 119.8° | 120.0° |
| C51 | C52 | C53 | H22 | 119.8° | 120.0° |
| C51 | C52 | C53 | O54 | 84.2° | 0.0° |
| C51 | C52 | C53 | O55 | 81.4° | 179.9° |
| C52 | C51 | H19 | H20 | 120.7° | 120.1° |
| C51 | C52 | H21 | H22 | 120.5° | 120.0° |
| C14 | N3 | C11 | C10 | 175.4° | 180.0° |
| C14 | N3 | C11 | C12 | 5.0° | 0.3° |
| N3 | C14 | C13 | C12 | 5.1° | 0.0° |
| N3 | C14 | C13 | C71 | 174.2° | 179.8° |
| N3 | C14 | C15 | H35 | 41.4° | 137.4° |
| C11 | N3 | C14 | C13 | 6.3° | 0.2° |
| N3 | C11 | C10 | C12 | 179.6° | 179.6° |
| N3 | C11 | C12 | C13 | 1.5° | 0.3° |
| N3 | C11 | C12 | C61 | 175.0° | 179.7° |
| N3 | C11 | C10 | H24 | 177.1° | 174.0° |
| O19 | C19 | C18 | C17 | 178.8° | 180.0° |
| O19 | C19 | C18 | C91 | 3.7° | 0.1° |
| O19 | C19 | N4 | H6 | 2.4° | 0.0° |
| C16 | C17 | C18 | C19 | 4.0° | 0.0° |
| C16 | C17 | C18 | C81 | 177.0° | 179.9° |
| C16 | C17 | C18 | C91 | 179.0° | 179.9° |
| C17 | C16 | C15 | H35 | 159.5° | 172.6° |
| C16 | C17 | C81 | H37 | 180.0° | 53.5° |
| C16 | C17 | C81 | H38 | 60.0° | 173.6° |
| C16 | C17 | C81 | H39 | 60.0° | 66.5° |
| C17 | C16 | N4 | H6 | 174.8° | 179.8° |
| C19 | C18 | C17 | C91 | 174.9° | 179.9° |
| C19 | C18 | C17 | C81 | 179.0° | 179.9° |
| C19 | C18 | C91 | C92 | 124.7° | 85.1° |
| C19 | C18 | C91 | H40 | 115.1° | 34.8° |
| C19 | C18 | C91 | H41 | 4.5° | 154.8° |
| C18 | C19 | N4 | H6 | 177.2° | 179.8° |
| C14 | C13 | C12 | C11 | 2.2° | 0.2° |
| C14 | C13 | C12 | C71 | 179.4° | 179.9° |
| C14 | C13 | C12 | C61 | 178.9° | 179.9° |
| C14 | C13 | C71 | H32 | 180.0° | 90.2° |
| C14 | C13 | C71 | H33 | 60.0° | 29.9° |
| C14 | C13 | C71 | H34 | 60.0° | 149.8° |
| C13 | C14 | C15 | H35 | 127.3° | 42.8° |
| C10 | C11 | C12 | C13 | 178.8° | 180.0° |
| C10 | C11 | C12 | C61 | 4.7° | 0.0° |
| C52 | C53 | O54 | O55 | 164.3° | 179.9° |
| C53 | C52 | C51 | H19 | 61.1° | 60.0° |
| C53 | C52 | C51 | H20 | 59.3° | 60.0° |
| C53 | C52 | H21 | H22 | 120.5° | 120.0° |
| C52 | C53 | O55 | H23 | 163.9° | 180.0° |
| C11 | C12 | C13 | C61 | 176.7° | 180.0° |
| C11 | C12 | C13 | C71 | 177.2° | 180.0° |
| C11 | C12 | C61 | C62 | 111.3° | 85.0° |
| C12 | C11 | C10 | H24 | 2.5° | 5.6° |
| C11 | C12 | C61 | H27 | 128.4° | 35.0° |
| C11 | C12 | C61 | H28 | 9.1° | 155.0° |
| O54 | C53 | C52 | H21 | 35.7° | 120.0° |
| O54 | C53 | C52 | H22 | 156.0° | 120.0° |
| O54 | C53 | O55 | H23 | 0.0° | 0.1° |
| C17 | C18 | C91 | C92 | 61.4° | 94.7° |
| C18 | C17 | C81 | H37 | 3.5° | 126.4° |
| C18 | C17 | C81 | H38 | 116.4° | 6.3° |
| C18 | C17 | C81 | H39 | 123.6° | 113.6° |
| C17 | C18 | C91 | H40 | 58.8° | 145.3° |
| C17 | C18 | C91 | H41 | 178.4° | 25.3° |
| C81 | C17 | C18 | C91 | 4.0° | 0.0° |
| C17 | C81 | H37 | H38 | 120.0° | 120.1° |
| C17 | C81 | H37 | H39 | 120.0° | 120.0° |
| C17 | C81 | H38 | H39 | 120.0° | 120.0° |
| C18 | C91 | C92 | H40 | 120.2° | 120.0° |
| C18 | C91 | C92 | H41 | 120.2° | 120.0° |
| C18 | C91 | H40 | H41 | 119.3° | 120.0° |
| C18 | C91 | C92 | H42 | 180.0° | 175.1° |
| C18 | C91 | C92 | H43 | 60.0° | 55.1° |
| C18 | C91 | C92 | H44 | 60.0° | 64.9° |
| O55 | C53 | C52 | H21 | 158.7° | 60.0° |
| O55 | C53 | C52 | H22 | 38.4° | 60.0° |
| C13 | C12 | C61 | C62 | 72.8° | 95.0° |
| C13 | C12 | C61 | H27 | 47.5° | 145.0° |
| C13 | C12 | C61 | H28 | 166.8° | 25.0° |
| C12 | C13 | C71 | H32 | 0.7° | 90.0° |
| C12 | C13 | C71 | H33 | 120.7° | 150.0° |
| C12 | C13 | C71 | H34 | 119.3° | 30.0° |
| C71 | C13 | C12 | C61 | 0.5° | 0.0° |
| C13 | C71 | H32 | H33 | 120.0° | 120.0° |
| C13 | C71 | H32 | H34 | 120.1° | 120.0° |
| C13 | C71 | H33 | H34 | 120.0° | 119.9° |
| C92 | C91 | H40 | H41 | 119.4° | 120.0° |
| C91 | C92 | H42 | H43 | 120.0° | 119.9° |
| C91 | C92 | H42 | H44 | 120.0° | 120.0° |
| C91 | C92 | H43 | H44 | 120.0° | 120.0° |
| C12 | C61 | C62 | H27 | 120.3° | 119.9° |
| C12 | C61 | C62 | H28 | 120.3° | 120.0° |
| C12 | C61 | C62 | C63 | 72.6° | 180.0° |
| C12 | C61 | H27 | H28 | 119.0° | 120.0° |
| C12 | C61 | C62 | H29 | 47.3° | 60.0° |
| C12 | C61 | C62 | H30 | 167.6° | 60.0° |
| C61 | C62 | C63 | O65 | 118.5° | 0.0° |
| C61 | C62 | C63 | O64 | 52.9° | 180.0° |
| C61 | C62 | C63 | H29 | 119.9° | 120.0° |
| C61 | C62 | C63 | H30 | 119.9° | 120.0° |
| C62 | C61 | H27 | H28 | 119.1° | 120.0° |
| C61 | C62 | H29 | H30 | 120.4° | 120.0° |
| O65 | C63 | O64 | C62 | 170.5° | 180.0° |
| O65 | C63 | C62 | H29 | 1.4° | 120.0° |
| O65 | C63 | C62 | H30 | 121.6° | 120.0° |
| O65 | C63 | O64 | H31 | 0.0° | 0.0° |
| O64 | C63 | C62 | H29 | 172.8° | 60.0° |
| O64 | C63 | C62 | H30 | 66.9° | 60.0° |
| C63 | C62 | C61 | H27 | 167.1° | 60.1° |
| C63 | C62 | C61 | H28 | 47.7° | 60.0° |
| C63 | C62 | H29 | H30 | 120.4° | 120.0° |
| C62 | C63 | O64 | H31 | 170.5° | 180.0° |
| H1 | C32 | H2 | H3 | 120.0° | 119.9° |
| H1 | C32 | C31 | H4 | 59.3° | 55.1° |
| H1 | C32 | C31 | H5 | 59.4° | 175.1° |
| H2 | C32 | C31 | H4 | 60.6° | 175.1° |
| H2 | C32 | C31 | H5 | 179.4° | 64.9° |
| H3 | C32 | C31 | H4 | 179.4° | 65.0° |
| H3 | C32 | C31 | H5 | 60.6° | 55.1° |
| H8 | C21 | H9 | H10 | 120.0° | 120.0° |
| H11 | N1 | C4 | H12 | 50.9° | 60.8° |
| H12 | C4 | C5 | H13 | 176.7° | 172.5° |
| H12 | C4 | C5 | H14 | 63.9° | 67.5° |
| H16 | C41 | H17 | H18 | 120.0° | 120.0° |
| H19 | C51 | C52 | H21 | 179.0° | 180.0° |
| H19 | C51 | C52 | H22 | 58.7° | 60.0° |
| H20 | C51 | C52 | H21 | 60.5° | 60.0° |
| H20 | C51 | C52 | H22 | 179.2° | 180.0° |
| H27 | C61 | C62 | H29 | 73.0° | 179.9° |
| H27 | C61 | C62 | H30 | 47.2° | 60.0° |
| H28 | C61 | C62 | H29 | 167.6° | 60.0° |
| H28 | C61 | C62 | H30 | 72.1° | 180.0° |
| H32 | C71 | H33 | H34 | 120.0° | 120.0° |
| H37 | C81 | H38 | H39 | 120.0° | 119.9° |
| H40 | C91 | C92 | H42 | 59.8° | 65.0° |
| H40 | C91 | C92 | H43 | 179.8° | 175.1° |
| H40 | C91 | C92 | H44 | 60.2° | 55.1° |
| H41 | C91 | C92 | H42 | 59.8° | 55.0° |
| H41 | C91 | C92 | H43 | 60.2° | 64.9° |
| H41 | C91 | C92 | H44 | 179.8° | 175.0° |
| H42 | C92 | H43 | H44 | 120.0° | 120.0° |
