U8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.21Å | 1.25Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C22 | O24 | sing | 1.34Å | 1.25Å | |
| C21 | N20 | sing | 1.46Å | 1.47Å | |
| O28 | C27 | doub | 1.21Å | 1.23Å | |
| N20 | C19 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| N26 | C27 | sing | 1.34Å | 1.41Å | |
| N26 | C5 | sing | 1.46Å | 1.50Å | |
| C7 | S6 | sing | 1.81Å | 1.86Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C1 | C57 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C29 | sing | 1.50Å | 1.41Å | |
| S6 | C5 | sing | 1.81Å | 1.86Å | |
| C19 | O25 | doub | 1.21Å | 1.23Å | |
| C19 | C8 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | sing | 1.51Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | C55 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C53 | sing | 1.50Å | 1.41Å | |
| C8 | N9 | sing | 1.47Å | 1.48Å | |
| C57 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| S30 | C29 | sing | 1.81Å | 1.84Å | |
| C29 | C50 | sing | 1.53Å | 1.54Å | |
| C29 | N52 | sing | 1.46Å | 1.49Å | |
| N9 | C10 | sing | 1.35Å | 1.33Å | |
| C50 | O51 | sing | 1.43Å | 1.43Å | |
| C55 | C56 | sing | 1.38Å | 1.39Å | Aromatic |
| C53 | N52 | sing | 1.34Å | 1.42Å | |
| C53 | O54 | doub | 1.21Å | 1.24Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C10 | C12 | sing | 1.51Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| O18 | C16 | doub | 1.21Å | 1.25Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C16 | O17 | sing | 1.34Å | 1.25Å | |
| C16 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| O17 | H10 | sing | 0.97Å | 0.95Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| N15 | H12 | sing | 1.01Å | 1.00Å | |
| N15 | H13 | sing | 1.01Å | 1.00Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N9 | H17 | sing | 0.97Å | 1.00Å | |
| N20 | H18 | sing | 0.97Å | 1.00Å | |
| O24 | H19 | sing | 0.97Å | 0.95Å | |
| C55 | H20 | sing | 1.08Å | 1.08Å | |
| C56 | H21 | sing | 1.08Å | 1.08Å | |
| C57 | H22 | sing | 1.08Å | 1.08Å | |
| C1 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| N52 | H25 | sing | 0.97Å | 1.00Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C50 | H27 | sing | 1.09Å | 1.10Å | |
| C50 | H28 | sing | 1.09Å | 1.10Å | |
| O51 | H29 | sing | 0.97Å | 0.95Å | |
| S30 | H30 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | C21 | 116.8° | 120.0° |
| O23 | C22 | O24 | 126.1° | 120.0° |
| C21 | C22 | O24 | 117.1° | 120.0° |
| C22 | C21 | N20 | 109.8° | 109.4° |
| C22 | C21 | H8 | 109.4° | 109.5° |
| C22 | C21 | H9 | 109.4° | 109.5° |
| C22 | O24 | H19 | 109.5° | 117.0° |
| C21 | N20 | C19 | 120.1° | 120.0° |
| N20 | C21 | H8 | 109.4° | 109.5° |
| N20 | C21 | H9 | 109.4° | 109.5° |
| C21 | N20 | H18 | 119.9° | 120.1° |
| O28 | C27 | N26 | 117.0° | 118.6° |
| O28 | C27 | C29 | 120.4° | 118.7° |
| N20 | C19 | O25 | 122.6° | 120.0° |
| N20 | C19 | C8 | 115.9° | 120.0° |
| C19 | N20 | H18 | 119.9° | 119.9° |
| C1 | C2 | C3 | 121.9° | 120.0° |
| C2 | C1 | C57 | 119.9° | 120.0° |
| C2 | C1 | H23 | 120.1° | 120.0° |
| C1 | C2 | H24 | 119.0° | 120.0° |
| C2 | C3 | C4 | 118.4° | 120.0° |
| C2 | C3 | C55 | 117.4° | 120.0° |
| C3 | C2 | H24 | 119.1° | 120.0° |
| C27 | N26 | C5 | 125.4° | 122.8° |
| N26 | C27 | C29 | 122.6° | 122.7° |
| C27 | N26 | H26 | 117.3° | 118.6° |
| N26 | C5 | S6 | 111.6° | 109.0° |
| N26 | C5 | C4 | 108.5° | 109.1° |
| N26 | C5 | C53 | 110.7° | 111.3° |
| C5 | N26 | H26 | 117.3° | 118.6° |
| S6 | C7 | C8 | 113.4° | 109.5° |
| C7 | S6 | C5 | 109.9° | 103.0° |
| S6 | C7 | H3 | 108.5° | 109.5° |
| S6 | C7 | H4 | 108.5° | 109.5° |
| C7 | C8 | C19 | 110.1° | 109.5° |
| C7 | C8 | N9 | 109.7° | 109.4° |
| C8 | C7 | H3 | 108.5° | 109.5° |
| C8 | C7 | H4 | 108.4° | 109.5° |
| C7 | C8 | H5 | 108.9° | 109.5° |
| C1 | C57 | C56 | 119.1° | 120.0° |
| C1 | C57 | H22 | 120.4° | 120.0° |
| C57 | C1 | H23 | 120.1° | 120.0° |
| C27 | C29 | S30 | 106.7° | 109.1° |
| C27 | C29 | C50 | 110.9° | 109.1° |
| C27 | C29 | N52 | 110.8° | 111.3° |
| S6 | C5 | C4 | 104.6° | 109.1° |
| S6 | C5 | C53 | 109.0° | 109.1° |
| O25 | C19 | C8 | 121.5° | 120.0° |
| C19 | C8 | N9 | 109.6° | 109.5° |
| C19 | C8 | H5 | 108.8° | 109.5° |
| C3 | C4 | C5 | 117.8° | 109.4° |
| C4 | C3 | C55 | 124.0° | 120.0° |
| C3 | C4 | H1 | 107.4° | 109.5° |
| C3 | C4 | H2 | 107.4° | 109.5° |
| C4 | C5 | C53 | 112.4° | 109.1° |
| C5 | C4 | H1 | 107.4° | 109.5° |
| C5 | C4 | H2 | 107.3° | 109.5° |
| C3 | C55 | C56 | 121.0° | 120.0° |
| C3 | C55 | H20 | 119.5° | 120.0° |
| C5 | C53 | N52 | 122.4° | 122.7° |
| C5 | C53 | O54 | 120.8° | 118.6° |
| C8 | N9 | C10 | 120.2° | 120.0° |
| N9 | C8 | H5 | 109.6° | 109.5° |
| C8 | N9 | H17 | 119.9° | 120.1° |
| C57 | C56 | C55 | 120.7° | 120.0° |
| C57 | C56 | H21 | 119.6° | 120.0° |
| C56 | C57 | H22 | 120.4° | 120.0° |
| S30 | C29 | C50 | 109.2° | 109.1° |
| S30 | C29 | N52 | 111.7° | 109.0° |
| C29 | S30 | H30 | 102.0° | 103.0° |
| C50 | C29 | N52 | 107.6° | 109.1° |
| C29 | C50 | O51 | 110.6° | 109.5° |
| C29 | C50 | H27 | 109.2° | 109.5° |
| C29 | C50 | H28 | 109.2° | 109.5° |
| C29 | N52 | C53 | 125.5° | 122.9° |
| C29 | N52 | H25 | 117.2° | 118.6° |
| N9 | C10 | O11 | 122.1° | 120.0° |
| N9 | C10 | C12 | 116.2° | 120.0° |
| C10 | N9 | H17 | 119.9° | 120.0° |
| O51 | C50 | H27 | 109.2° | 109.5° |
| O51 | C50 | H28 | 109.2° | 109.4° |
| C50 | O51 | H29 | 109.5° | 114.0° |
| C56 | C55 | H20 | 119.5° | 120.0° |
| C55 | C56 | H21 | 119.7° | 120.1° |
| N52 | C53 | O54 | 116.8° | 118.7° |
| C53 | N52 | H25 | 117.3° | 118.5° |
| O11 | C10 | C12 | 121.3° | 120.0° |
| C10 | C12 | C13 | 107.8° | 109.5° |
| C10 | C12 | H15 | 109.9° | 109.5° |
| C10 | C12 | H16 | 109.9° | 109.4° |
| C12 | C13 | C14 | 110.0° | 109.4° |
| C12 | C13 | H6 | 109.3° | 109.5° |
| C12 | C13 | H7 | 109.3° | 109.5° |
| C13 | C12 | H15 | 109.9° | 109.5° |
| C13 | C12 | H16 | 109.9° | 109.5° |
| O18 | C16 | O17 | 125.5° | 120.0° |
| O18 | C16 | C14 | 116.8° | 120.0° |
| C13 | C14 | C16 | 114.4° | 109.4° |
| C13 | C14 | N15 | 108.6° | 109.5° |
| C14 | C13 | H6 | 109.3° | 109.5° |
| C14 | C13 | H7 | 109.3° | 109.5° |
| C13 | C14 | H11 | 107.8° | 109.5° |
| O17 | C16 | C14 | 117.6° | 120.0° |
| C16 | O17 | H10 | 109.5° | 117.0° |
| C16 | C14 | N15 | 110.0° | 109.4° |
| C16 | C14 | H11 | 107.5° | 109.5° |
| N15 | C14 | H11 | 108.4° | 109.5° |
| C14 | N15 | H12 | 109.5° | 111.1° |
| C14 | N15 | H13 | 109.4° | 111.0° |
| H1 | C4 | H2 | 109.5° | 109.6° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.4° | 109.5° |
| H12 | N15 | H13 | 109.5° | 110.9° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H27 | C50 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | C21 | O24 | 179.7° | 180.0° |
| O23 | C22 | C21 | N20 | 127.5° | 0.0° |
| O23 | C22 | C21 | H8 | 112.4° | 120.0° |
| O23 | C22 | C21 | H9 | 7.4° | 120.0° |
| O23 | C22 | O24 | H19 | 0.0° | 0.0° |
| C22 | C21 | N20 | H8 | 120.0° | 120.0° |
| C22 | C21 | N20 | H9 | 120.1° | 120.0° |
| C22 | C21 | N20 | C19 | 166.6° | 180.0° |
| C22 | C21 | H8 | H9 | 119.8° | 120.0° |
| C22 | C21 | N20 | H18 | 13.4° | 0.0° |
| C21 | C22 | O24 | H19 | 179.6° | 180.0° |
| O24 | C22 | C21 | N20 | 52.8° | 180.0° |
| O24 | C22 | C21 | H8 | 67.2° | 60.0° |
| O24 | C22 | C21 | H9 | 172.9° | 60.0° |
| C21 | N20 | C19 | H18 | 180.0° | 180.0° |
| C21 | N20 | C19 | O25 | 1.3° | 0.0° |
| C21 | N20 | C19 | C8 | 179.0° | 180.0° |
| N20 | C21 | H8 | H9 | 119.8° | 120.0° |
| O28 | C27 | N26 | C29 | 177.5° | 179.9° |
| O28 | C27 | N26 | C5 | 180.0° | 179.9° |
| O28 | C27 | C29 | S30 | 69.2° | 79.3° |
| O28 | C27 | C29 | C50 | 49.6° | 39.8° |
| O28 | C27 | C29 | N52 | 169.1° | 160.3° |
| O28 | C27 | N26 | H26 | 0.0° | 0.0° |
| N20 | C19 | C8 | C7 | 54.6° | 60.0° |
| N20 | C19 | O25 | C8 | 179.6° | 180.0° |
| N20 | C19 | C8 | N9 | 175.4° | 180.0° |
| N20 | C19 | C8 | H5 | 64.7° | 60.0° |
| C19 | N20 | C21 | H8 | 46.6° | 60.0° |
| C19 | N20 | C21 | H9 | 73.3° | 60.0° |
| C1 | C2 | C3 | H24 | 180.0° | 179.5° |
| C2 | C1 | C57 | H23 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 178.0° | 179.8° |
| C1 | C2 | C3 | C55 | 2.2° | 0.6° |
| C2 | C1 | C57 | C56 | 0.0° | 0.2° |
| C2 | C1 | C57 | H22 | 179.9° | 179.8° |
| C3 | C2 | C1 | C57 | 1.1° | 0.5° |
| C2 | C3 | C4 | C55 | 175.5° | 179.7° |
| C2 | C3 | C4 | C5 | 129.4° | 90.3° |
| C2 | C3 | C55 | C56 | 2.3° | 0.3° |
| C2 | C3 | C4 | H1 | 8.2° | 149.7° |
| C2 | C3 | C4 | H2 | 109.5° | 29.6° |
| C2 | C3 | C55 | H20 | 177.7° | 179.7° |
| C3 | C2 | C1 | H23 | 178.9° | 179.6° |
| C27 | N26 | C5 | H26 | 180.0° | 179.9° |
| C27 | N26 | C5 | S6 | 110.2° | 101.0° |
| C27 | N26 | C5 | C4 | 135.1° | 140.0° |
| C27 | N26 | C5 | C53 | 11.4° | 19.5° |
| N26 | C27 | C29 | S30 | 108.3° | 100.8° |
| N26 | C27 | C29 | C50 | 133.0° | 140.1° |
| N26 | C27 | C29 | N52 | 13.5° | 19.6° |
| N26 | C5 | S6 | C7 | 37.4° | 55.9° |
| C5 | N26 | C27 | C29 | 2.4° | 0.1° |
| N26 | C5 | S6 | C4 | 117.1° | 119.1° |
| N26 | C5 | S6 | C53 | 122.6° | 121.8° |
| N26 | C5 | C4 | C3 | 59.7° | 53.2° |
| N26 | C5 | C4 | C53 | 122.7° | 121.9° |
| N26 | C5 | C53 | N52 | 12.6° | 19.7° |
| N26 | C5 | C53 | O54 | 168.3° | 160.3° |
| N26 | C5 | C4 | H1 | 61.5° | 66.8° |
| N26 | C5 | C4 | H2 | 179.1° | 173.1° |
| S6 | C7 | C8 | H3 | 120.6° | 120.0° |
| S6 | C7 | C8 | H4 | 120.6° | 120.0° |
| S6 | C7 | C8 | C19 | 163.2° | 180.0° |
| C7 | S6 | C5 | C4 | 154.5° | 175.0° |
| C7 | S6 | C5 | C53 | 85.2° | 65.9° |
| S6 | C7 | C8 | N9 | 42.5° | 60.0° |
| S6 | C7 | H3 | H4 | 118.2° | 120.0° |
| S6 | C7 | C8 | H5 | 77.5° | 60.0° |
| C8 | C7 | S6 | C5 | 94.7° | 180.0° |
| C7 | C8 | C19 | O25 | 125.8° | 120.0° |
| C7 | C8 | C19 | N9 | 120.8° | 119.9° |
| C7 | C8 | C19 | H5 | 119.3° | 120.0° |
| C7 | C8 | N9 | H5 | 119.6° | 120.0° |
| C7 | C8 | N9 | C10 | 109.9° | 155.0° |
| C8 | C7 | H3 | H4 | 118.2° | 120.0° |
| C7 | C8 | N9 | H17 | 70.1° | 25.0° |
| C1 | C57 | C56 | H22 | 180.0° | 180.0° |
| C1 | C57 | C56 | C55 | 0.1° | 0.0° |
| C1 | C57 | C56 | H21 | 179.9° | 179.9° |
| C57 | C1 | C2 | H24 | 178.9° | 180.0° |
| C27 | C29 | S30 | C50 | 119.9° | 119.1° |
| C27 | C29 | S30 | N52 | 121.2° | 121.8° |
| C27 | C29 | C50 | N52 | 121.4° | 121.9° |
| C27 | C29 | C50 | O51 | 176.8° | 60.0° |
| C27 | C29 | N52 | C53 | 12.2° | 19.4° |
| C27 | C29 | N52 | H25 | 167.7° | 160.6° |
| C29 | C27 | N26 | H26 | 177.6° | 179.9° |
| C27 | C29 | C50 | H27 | 56.6° | 180.0° |
| C27 | C29 | C50 | H28 | 63.1° | 60.0° |
| C27 | C29 | S30 | H30 | 180.0° | 180.0° |
| S6 | C5 | C4 | C3 | 178.9° | 65.9° |
| S6 | C5 | C4 | C53 | 118.0° | 119.1° |
| S6 | C5 | C53 | N52 | 110.5° | 100.7° |
| S6 | C5 | C53 | O54 | 68.5° | 79.3° |
| S6 | C5 | C4 | H1 | 57.7° | 174.2° |
| S6 | C5 | C4 | H2 | 59.9° | 54.1° |
| C5 | S6 | C7 | H3 | 25.9° | 60.0° |
| C5 | S6 | C7 | H4 | 144.7° | 60.0° |
| S6 | C5 | N26 | H26 | 69.8° | 79.0° |
| O25 | C19 | C8 | N9 | 5.0° | 0.1° |
| O25 | C19 | C8 | H5 | 114.9° | 120.0° |
| O25 | C19 | N20 | H18 | 178.7° | 180.0° |
| C19 | C8 | N9 | H5 | 119.4° | 120.0° |
| C19 | C8 | N9 | C10 | 129.1° | 85.0° |
| C19 | C8 | C7 | H3 | 76.2° | 60.0° |
| C19 | C8 | C7 | H4 | 42.6° | 60.0° |
| C19 | C8 | N9 | H17 | 50.9° | 95.0° |
| C8 | C19 | N20 | H18 | 0.9° | 0.0° |
| C3 | C4 | C5 | H1 | 121.2° | 120.0° |
| C3 | C4 | C5 | H2 | 121.2° | 120.0° |
| C3 | C4 | C5 | C53 | 63.0° | 175.0° |
| C4 | C3 | C55 | C56 | 177.8° | 180.0° |
| C3 | C4 | H1 | H2 | 116.2° | 120.0° |
| C4 | C3 | C55 | H20 | 2.1° | 0.1° |
| C4 | C3 | C2 | H24 | 2.0° | 0.3° |
| C5 | C4 | C3 | C55 | 55.1° | 90.0° |
| C4 | C5 | C53 | N52 | 134.1° | 140.2° |
| C4 | C5 | C53 | O54 | 46.9° | 39.8° |
| C5 | C4 | H1 | H2 | 116.2° | 120.0° |
| C4 | C5 | N26 | H26 | 44.9° | 40.1° |
| C3 | C55 | C56 | C57 | 1.3° | 0.0° |
| C3 | C55 | C56 | H20 | 180.0° | 180.0° |
| C55 | C3 | C4 | H1 | 176.3° | 29.9° |
| C55 | C3 | C4 | H2 | 66.1° | 150.0° |
| C3 | C55 | C56 | H21 | 178.7° | 179.9° |
| C55 | C3 | C2 | H24 | 177.8° | 180.0° |
| C5 | C53 | N52 | C29 | 1.5° | 0.1° |
| C5 | C53 | N52 | O54 | 179.1° | 180.0° |
| C53 | C5 | C4 | H1 | 175.8° | 55.1° |
| C53 | C5 | C4 | H2 | 58.2° | 65.0° |
| C5 | C53 | N52 | H25 | 178.5° | 179.9° |
| C53 | C5 | N26 | H26 | 168.6° | 160.6° |
| C8 | N9 | C10 | H17 | 180.0° | 180.0° |
| C8 | N9 | C10 | O11 | 2.7° | 0.0° |
| C8 | N9 | C10 | C12 | 175.0° | 180.0° |
| N9 | C8 | C7 | H3 | 163.1° | 60.0° |
| N9 | C8 | C7 | H4 | 78.1° | 180.0° |
| C57 | C56 | C55 | H21 | 180.0° | 179.9° |
| C57 | C56 | C55 | H20 | 178.7° | 180.0° |
| C56 | C57 | C1 | H23 | 180.0° | 179.9° |
| S30 | C29 | C50 | N52 | 121.4° | 119.0° |
| S30 | C29 | C50 | O51 | 66.0° | 59.1° |
| S30 | C29 | N52 | C53 | 106.6° | 101.0° |
| S30 | C29 | N52 | H25 | 73.5° | 79.0° |
| S30 | C29 | C50 | H27 | 173.8° | 60.9° |
| S30 | C29 | C50 | H28 | 54.1° | 179.1° |
| C29 | C50 | O51 | H27 | 120.2° | 120.0° |
| C29 | C50 | O51 | H28 | 120.2° | 120.0° |
| C50 | C29 | N52 | C53 | 133.7° | 140.0° |
| C50 | C29 | N52 | H25 | 46.3° | 40.1° |
| C29 | C50 | H27 | H28 | 119.5° | 120.0° |
| C29 | C50 | O51 | H29 | 180.0° | 180.0° |
| C50 | C29 | S30 | H30 | 60.1° | 60.9° |
| N52 | C29 | C50 | O51 | 55.4° | 178.2° |
| C29 | N52 | C53 | H25 | 180.0° | 180.0° |
| C29 | N52 | C53 | O54 | 179.4° | 179.9° |
| N52 | C29 | C50 | H27 | 64.8° | 58.2° |
| N52 | C29 | C50 | H28 | 175.5° | 61.9° |
| N52 | C29 | S30 | H30 | 58.8° | 58.2° |
| N9 | C10 | O11 | C12 | 171.9° | 180.0° |
| N9 | C10 | C12 | C13 | 164.9° | 180.0° |
| C10 | N9 | C8 | H5 | 9.6° | 35.0° |
| N9 | C10 | C12 | H15 | 45.1° | 60.0° |
| N9 | C10 | C12 | H16 | 75.4° | 60.0° |
| O51 | C50 | H27 | H28 | 119.5° | 120.0° |
| C55 | C56 | C57 | H22 | 179.8° | 179.9° |
| O54 | C53 | N52 | H25 | 0.5° | 0.0° |
| O11 | C10 | C12 | C13 | 22.7° | 0.0° |
| O11 | C10 | C12 | H15 | 142.5° | 120.0° |
| O11 | C10 | C12 | H16 | 97.0° | 120.0° |
| O11 | C10 | N9 | H17 | 177.3° | 180.0° |
| C10 | C12 | C13 | H15 | 119.7° | 120.0° |
| C10 | C12 | C13 | H16 | 119.7° | 120.0° |
| C10 | C12 | C13 | C14 | 173.4° | 180.0° |
| C10 | C12 | C13 | H6 | 66.5° | 60.0° |
| C10 | C12 | C13 | H7 | 53.3° | 60.0° |
| C10 | C12 | H15 | H16 | 120.8° | 120.0° |
| C12 | C10 | N9 | H17 | 5.0° | 0.0° |
| C12 | C13 | C14 | H6 | 120.1° | 120.0° |
| C12 | C13 | C14 | H7 | 120.1° | 120.0° |
| C12 | C13 | C14 | C16 | 41.8° | 175.0° |
| C12 | C13 | C14 | N15 | 165.0° | 65.0° |
| C12 | C13 | H6 | H7 | 119.8° | 120.0° |
| C12 | C13 | C14 | H11 | 77.7° | 55.0° |
| C13 | C12 | H15 | H16 | 120.8° | 120.1° |
| O18 | C16 | C14 | C13 | 91.2° | 100.0° |
| O18 | C16 | O17 | C14 | 176.2° | 180.0° |
| O18 | C16 | C14 | N15 | 146.3° | 20.0° |
| O18 | C16 | O17 | H10 | 0.0° | 0.0° |
| O18 | C16 | C14 | H11 | 28.5° | 140.0° |
| C13 | C14 | C16 | O17 | 92.2° | 80.0° |
| C13 | C14 | C16 | N15 | 122.5° | 120.0° |
| C13 | C14 | C16 | H11 | 119.7° | 120.0° |
| C13 | C14 | N15 | H11 | 116.9° | 120.1° |
| C14 | C13 | H6 | H7 | 119.8° | 120.0° |
| C13 | C14 | N15 | H12 | 180.0° | 176.1° |
| C13 | C14 | N15 | H13 | 60.0° | 60.0° |
| C14 | C13 | C12 | H15 | 53.6° | 60.0° |
| C14 | C13 | C12 | H16 | 66.9° | 60.0° |
| O17 | C16 | C14 | N15 | 30.3° | 160.0° |
| O17 | C16 | C14 | H11 | 148.1° | 40.0° |
| C16 | C14 | N15 | H11 | 117.2° | 120.0° |
| C16 | C14 | C13 | H6 | 78.3° | 65.0° |
| C16 | C14 | C13 | H7 | 161.9° | 55.0° |
| C14 | C16 | O17 | H10 | 176.2° | 180.0° |
| C16 | C14 | N15 | H12 | 54.1° | 63.9° |
| C16 | C14 | N15 | H13 | 65.9° | 60.0° |
| N15 | C14 | C13 | H6 | 45.0° | 54.9° |
| N15 | C14 | C13 | H7 | 74.9° | 175.0° |
| C14 | N15 | H12 | H13 | 120.0° | 124.0° |
| H3 | C7 | C8 | H5 | 43.1° | 180.0° |
| H4 | C7 | C8 | H5 | 161.9° | 60.0° |
| H5 | C8 | N9 | H17 | 170.4° | 145.0° |
| H6 | C13 | C14 | H11 | 162.2° | 175.0° |
| H6 | C13 | C12 | H15 | 173.7° | 60.0° |
| H6 | C13 | C12 | H16 | 53.2° | 180.0° |
| H7 | C13 | C14 | H11 | 42.3° | 65.0° |
| H7 | C13 | C12 | H15 | 66.4° | 180.0° |
| H7 | C13 | C12 | H16 | 173.0° | 60.0° |
| H8 | C21 | N20 | H18 | 133.5° | 120.0° |
| H9 | C21 | N20 | H18 | 106.7° | 120.0° |
| H11 | C14 | N15 | H12 | 63.1° | 56.1° |
| H11 | C14 | N15 | H13 | 176.9° | 180.0° |
| H20 | C55 | C56 | H21 | 1.3° | 0.1° |
| H21 | C56 | C57 | H22 | 0.1° | 0.0° |
| H22 | C57 | C1 | H23 | 0.1° | 0.0° |
| H23 | C1 | C2 | H24 | 1.1° | 0.2° |
| H27 | C50 | O51 | H29 | 59.8° | 60.0° |
| H28 | C50 | O51 | H29 | 59.8° | 60.0° |
