A1CIM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C2 | O1 | sing | 1.43Å | 1.40Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| O2 | C4 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O3 | C5 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O4 | C6 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C2 | sing | 1.51Å | 1.54Å | |
| O5 | C7 | doub | 1.21Å | 1.19Å | |
| N1 | C7 | sing | 1.35Å | 1.47Å | |
| C8 | N1 | sing | 1.46Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| O6 | C8 | sing | 1.43Å | 1.40Å | |
| C10 | C8 | sing | 1.53Å | 1.54Å | |
| O7 | C10 | sing | 1.43Å | 1.47Å | |
| C11 | O7 | sing | 1.43Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.47Å | |
| O8 | C13 | sing | 1.43Å | 1.40Å | |
| C14 | C13 | sing | 1.53Å | 1.47Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| N2 | C15 | sing | 1.35Å | 1.45Å | |
| O9 | C15 | doub | 1.21Å | 1.18Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C16 | C11 | sing | 1.51Å | 1.52Å | |
| O11 | C16 | sing | 1.34Å | 1.26Å | |
| O10 | C16 | doub | 1.21Å | 1.26Å | |
| C10 | C14 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | O12 | sing | 1.43Å | 1.07Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å | |
| O6 | H63 | sing | 0.97Å | 0.95Å | |
| O8 | H81 | sing | 0.97Å | 0.95Å | |
| O12 | C17 | sing | 1.43Å | 335.58Å | |
| C17 | H1 | sing | 1.09Å | 0.00Å | |
| C17 | H3 | sing | 1.09Å | 0.00Å | |
| C17 | H4 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 114.6° | 114.0° |
| O1 | C1 | H11 | 109.5° | 109.4° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H13 | 109.5° | 109.5° |
| O1 | C2 | C3 | 108.6° | 109.5° |
| O1 | C2 | C7 | 108.4° | 109.5° |
| O1 | C2 | H21 | 109.9° | 109.5° |
| C3 | C4 | O2 | 108.2° | 109.5° |
| C3 | C4 | C5 | 113.3° | 109.5° |
| C4 | C3 | C2 | 113.0° | 109.5° |
| C4 | C3 | H31 | 108.6° | 109.5° |
| C4 | C3 | H32 | 108.6° | 109.5° |
| C3 | C4 | H41 | 108.6° | 109.5° |
| O2 | C4 | C5 | 107.5° | 109.4° |
| O2 | C4 | H41 | 110.5° | 109.5° |
| C4 | O2 | H22 | 109.5° | 114.0° |
| C4 | C5 | O3 | 107.9° | 109.5° |
| C4 | C5 | C6 | 113.3° | 109.5° |
| C5 | C4 | H41 | 108.7° | 109.5° |
| C4 | C5 | H51 | 108.5° | 109.5° |
| O3 | C5 | C6 | 108.1° | 109.4° |
| O3 | C5 | H51 | 110.4° | 109.5° |
| C5 | O3 | H33 | 109.5° | 114.0° |
| C5 | C6 | O4 | 108.3° | 109.5° |
| C6 | C5 | H51 | 108.6° | 109.5° |
| C5 | C6 | H61 | 109.8° | 109.4° |
| C5 | C6 | H62 | 109.8° | 109.5° |
| O4 | C6 | H61 | 109.8° | 109.5° |
| O4 | C6 | H62 | 109.8° | 109.5° |
| C6 | O4 | H42 | 109.5° | 114.0° |
| C3 | C2 | C7 | 114.0° | 109.5° |
| C3 | C2 | H21 | 108.1° | 109.5° |
| C2 | C3 | H31 | 108.6° | 109.5° |
| C2 | C3 | H32 | 108.6° | 109.5° |
| C2 | C7 | O5 | 119.9° | 120.0° |
| C2 | C7 | N1 | 119.6° | 120.0° |
| C7 | C2 | H21 | 107.9° | 109.5° |
| O5 | C7 | N1 | 120.5° | 120.0° |
| C7 | N1 | C8 | 121.7° | 120.0° |
| C7 | N1 | H14 | 119.2° | 120.0° |
| N1 | C8 | C9 | 109.3° | 109.5° |
| N1 | C8 | O6 | 108.6° | 109.5° |
| N1 | C8 | C10 | 111.1° | 109.5° |
| C8 | N1 | H14 | 119.1° | 120.0° |
| C9 | C8 | O6 | 107.0° | 109.5° |
| C9 | C8 | C10 | 111.4° | 109.5° |
| C8 | C9 | H91 | 109.5° | 109.5° |
| C8 | C9 | H92 | 109.5° | 109.5° |
| C8 | C9 | H93 | 109.5° | 109.5° |
| O6 | C8 | C10 | 109.3° | 109.5° |
| C8 | O6 | H63 | 109.5° | 114.0° |
| C8 | C10 | O7 | 106.9° | 109.5° |
| C8 | C10 | C14 | 111.6° | 109.5° |
| C8 | C10 | H101 | 107.8° | 109.4° |
| C10 | O7 | C11 | 116.0° | 114.1° |
| O7 | C10 | C14 | 113.8° | 109.4° |
| O7 | C10 | H101 | 108.7° | 109.5° |
| O7 | C11 | C12 | 111.5° | 109.4° |
| O7 | C11 | C16 | 109.8° | 109.4° |
| O7 | C11 | O12 | 108.5° | 109.5° |
| C12 | C13 | O8 | 108.7° | 109.6° |
| C12 | C13 | C14 | 115.9° | 109.0° |
| C13 | C12 | C11 | 116.3° | 109.2° |
| C13 | C12 | H121 | 107.7° | 109.5° |
| C13 | C12 | H122 | 107.7° | 109.6° |
| C12 | C13 | H131 | 106.9° | 109.5° |
| O8 | C13 | C14 | 110.6° | 109.6° |
| O8 | C13 | H131 | 107.6° | 109.5° |
| C13 | O8 | H81 | 109.5° | 113.9° |
| C13 | C14 | C15 | 106.6° | 109.5° |
| C13 | C14 | C10 | 115.9° | 109.2° |
| C14 | C13 | H131 | 106.8° | 109.5° |
| C13 | C14 | H141 | 108.8° | 109.5° |
| C14 | C15 | N2 | 119.9° | 120.0° |
| C14 | C15 | O9 | 120.1° | 119.9° |
| C15 | C14 | C10 | 109.4° | 109.6° |
| C15 | C14 | H141 | 108.0° | 109.5° |
| N2 | C15 | O9 | 120.0° | 120.0° |
| C15 | N2 | H23 | 120.0° | 120.1° |
| C15 | N2 | H24 | 120.0° | 120.0° |
| C12 | C11 | C16 | 111.2° | 109.5° |
| C12 | C11 | O12 | 107.0° | 109.5° |
| C11 | C12 | H121 | 107.7° | 109.5° |
| C11 | C12 | H122 | 107.8° | 109.5° |
| C11 | C16 | O11 | 119.1° | 120.0° |
| C11 | C16 | O10 | 122.7° | 120.0° |
| C16 | C11 | O12 | 108.8° | 109.5° |
| O11 | C16 | O10 | 118.2° | 120.0° |
| C16 | O11 | H2 | 109.5° | 117.0° |
| C14 | C10 | H101 | 107.9° | 109.5° |
| C10 | C14 | H141 | 107.9° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H91 | C9 | H93 | 109.4° | 109.5° |
| H92 | C9 | H93 | 109.4° | 109.5° |
| C11 | O12 | C17 | 99.2° | 114.0° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H23 | N2 | H24 | 120.0° | 119.9° |
| O12 | C17 | H1 | 90.0° | 109.5° |
| O12 | C17 | H3 | 90.0° | 109.4° |
| O12 | C17 | H4 | 90.0° | 109.5° |
| H1 | C17 | H3 | 90.0° | 109.5° |
| H1 | C17 | H4 | 90.0° | 109.5° |
| H3 | C17 | H4 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 62.2° | 87.5° |
| C1 | O1 | C2 | C7 | 62.1° | 152.5° |
| O1 | C1 | H11 | H12 | 120.0° | 120.0° |
| O1 | C1 | H11 | H13 | 120.0° | 119.9° |
| O1 | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | O1 | C2 | H21 | 179.8° | 32.5° |
| O1 | C2 | C3 | C4 | 155.8° | 57.3° |
| O1 | C2 | C3 | C7 | 120.9° | 120.0° |
| O1 | C2 | C3 | H21 | 119.1° | 120.0° |
| O1 | C2 | C7 | H21 | 119.0° | 120.0° |
| O1 | C2 | C7 | O5 | 44.4° | 5.0° |
| O1 | C2 | C7 | N1 | 135.7° | 175.0° |
| C2 | O1 | C1 | H11 | 180.0° | 55.2° |
| C2 | O1 | C1 | H12 | 60.0° | 175.3° |
| C2 | O1 | C1 | H13 | 60.0° | 64.7° |
| O1 | C2 | C3 | H31 | 35.3° | 62.7° |
| O1 | C2 | C3 | H32 | 83.7° | 177.3° |
| C3 | C4 | O2 | C5 | 122.7° | 120.0° |
| C3 | C4 | O2 | H41 | 118.8° | 120.0° |
| C3 | C4 | C5 | H41 | 120.9° | 120.0° |
| C3 | C4 | C5 | O3 | 100.6° | 60.0° |
| C3 | C4 | C5 | C6 | 19.1° | 180.0° |
| C4 | C3 | C2 | H31 | 120.5° | 120.0° |
| C4 | C3 | C2 | H32 | 120.5° | 120.0° |
| C4 | C3 | C2 | C7 | 83.4° | 62.8° |
| C4 | C3 | C2 | H21 | 36.6° | 177.3° |
| C4 | C3 | H31 | H32 | 118.4° | 120.0° |
| C3 | C4 | C5 | H51 | 139.8° | 60.0° |
| C3 | C4 | O2 | H22 | 180.0° | 59.9° |
| O2 | C4 | C5 | H41 | 119.6° | 120.0° |
| O2 | C4 | C5 | O3 | 18.9° | 180.0° |
| O2 | C4 | C5 | C6 | 138.6° | 60.0° |
| O2 | C4 | C3 | C2 | 88.2° | 65.3° |
| O2 | C4 | C3 | H31 | 32.3° | 174.7° |
| O2 | C4 | C3 | H32 | 151.2° | 54.7° |
| O2 | C4 | C5 | H51 | 100.7° | 60.0° |
| C4 | C5 | O3 | C6 | 122.9° | 120.0° |
| C4 | C5 | O3 | H51 | 118.4° | 120.0° |
| C4 | C5 | C6 | H51 | 120.7° | 120.0° |
| C4 | C5 | C6 | O4 | 175.0° | 175.0° |
| C5 | C4 | C3 | C2 | 152.7° | 174.8° |
| C5 | C4 | C3 | H31 | 86.8° | 54.8° |
| C5 | C4 | C3 | H32 | 32.2° | 65.2° |
| C4 | C5 | C6 | H61 | 55.2° | 55.0° |
| C4 | C5 | C6 | H62 | 65.2° | 65.0° |
| C5 | C4 | O2 | H22 | 57.3° | 60.1° |
| C4 | C5 | O3 | H33 | 180.0° | 60.1° |
| O3 | C5 | C6 | H51 | 119.8° | 120.0° |
| O3 | C5 | C6 | O4 | 65.5° | 65.0° |
| O3 | C5 | C4 | H41 | 138.5° | 60.0° |
| O3 | C5 | C6 | H61 | 174.7° | 175.0° |
| O3 | C5 | C6 | H62 | 54.3° | 55.0° |
| C5 | C6 | O4 | H61 | 119.8° | 120.0° |
| C5 | C6 | O4 | H62 | 119.8° | 120.1° |
| C6 | C5 | C4 | H41 | 101.8° | 59.9° |
| C5 | C6 | H61 | H62 | 120.5° | 120.0° |
| C6 | C5 | O3 | H33 | 57.1° | 60.0° |
| C5 | C6 | O4 | H42 | 180.0° | 179.9° |
| O4 | C6 | C5 | H51 | 54.3° | 55.0° |
| O4 | C6 | H61 | H62 | 120.6° | 120.0° |
| C3 | C2 | C7 | H21 | 120.1° | 120.0° |
| C3 | C2 | C7 | O5 | 165.4° | 115.0° |
| C3 | C2 | C7 | N1 | 14.7° | 65.0° |
| C2 | C3 | H31 | H32 | 118.4° | 120.0° |
| C2 | C3 | C4 | H41 | 31.8° | 54.7° |
| C2 | C7 | O5 | N1 | 179.9° | 180.0° |
| C2 | C7 | N1 | C8 | 179.7° | 176.1° |
| C7 | C2 | C3 | H31 | 156.1° | 177.2° |
| C7 | C2 | C3 | H32 | 37.2° | 57.2° |
| C2 | C7 | N1 | H14 | 0.3° | 4.0° |
| O5 | C7 | N1 | C8 | 0.2° | 3.9° |
| O5 | C7 | C2 | H21 | 74.5° | 125.0° |
| O5 | C7 | N1 | H14 | 179.8° | 176.1° |
| C7 | N1 | C8 | H14 | 180.0° | 180.0° |
| C7 | N1 | C8 | C9 | 162.2° | 52.5° |
| C7 | N1 | C8 | O6 | 45.8° | 172.5° |
| C7 | N1 | C8 | C10 | 74.5° | 67.5° |
| N1 | C7 | C2 | H21 | 105.4° | 55.0° |
| N1 | C8 | C9 | O6 | 117.5° | 120.0° |
| N1 | C8 | C9 | C10 | 123.1° | 120.0° |
| N1 | C8 | O6 | C10 | 121.4° | 120.0° |
| N1 | C8 | C10 | O7 | 91.9° | 147.0° |
| N1 | C8 | C10 | C14 | 33.1° | 93.0° |
| N1 | C8 | C9 | H91 | 180.0° | 60.0° |
| N1 | C8 | C9 | H92 | 60.0° | 180.0° |
| N1 | C8 | C9 | H93 | 60.0° | 60.0° |
| N1 | C8 | C10 | H101 | 151.4° | 26.9° |
| N1 | C8 | O6 | H63 | 38.1° | 53.1° |
| C9 | C8 | O6 | C10 | 120.7° | 120.0° |
| C9 | C8 | C10 | O7 | 146.1° | 27.0° |
| C9 | C8 | C10 | C14 | 89.0° | 146.9° |
| C8 | C9 | H91 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H93 | 120.0° | 120.0° |
| C8 | C9 | H92 | H93 | 120.0° | 120.0° |
| C9 | C8 | C10 | H101 | 29.3° | 93.1° |
| C9 | C8 | N1 | H14 | 17.8° | 127.5° |
| C9 | C8 | O6 | H63 | 156.0° | 173.0° |
| O6 | C8 | C10 | O7 | 28.0° | 93.0° |
| O6 | C8 | C10 | C14 | 153.0° | 27.0° |
| O6 | C8 | C9 | H91 | 62.5° | 60.0° |
| O6 | C8 | C9 | H92 | 177.5° | 60.0° |
| O6 | C8 | C9 | H93 | 57.5° | 180.0° |
| O6 | C8 | C10 | H101 | 88.7° | 146.9° |
| O6 | C8 | N1 | H14 | 134.3° | 7.5° |
| C8 | C10 | O7 | C14 | 123.6° | 120.0° |
| C8 | C10 | O7 | H101 | 116.1° | 120.0° |
| C8 | C10 | O7 | C11 | 170.5° | 178.9° |
| C8 | C10 | C14 | C13 | 160.1° | 177.6° |
| C8 | C10 | C14 | C15 | 79.5° | 62.5° |
| C8 | C10 | C14 | H101 | 118.2° | 120.0° |
| C10 | C8 | C9 | H91 | 56.9° | 180.0° |
| C10 | C8 | C9 | H92 | 63.1° | 60.0° |
| C10 | C8 | C9 | H93 | 176.9° | 60.0° |
| C8 | C10 | C14 | H141 | 37.9° | 57.7° |
| C10 | C8 | N1 | H14 | 105.5° | 112.5° |
| C10 | C8 | O6 | H63 | 83.3° | 67.0° |
| O7 | C10 | C14 | C13 | 39.0° | 57.6° |
| O7 | C10 | C14 | C15 | 159.5° | 177.5° |
| C10 | O7 | C11 | C12 | 49.6° | 61.1° |
| C10 | O7 | C11 | C16 | 74.1° | 58.9° |
| O7 | C10 | C14 | H101 | 120.7° | 120.0° |
| C10 | O7 | C11 | O12 | 167.1° | 178.9° |
| O7 | C10 | C14 | H141 | 83.2° | 62.3° |
| O7 | C11 | C12 | C13 | 45.9° | 57.6° |
| O7 | C11 | C12 | C16 | 122.9° | 120.0° |
| O7 | C11 | C12 | O12 | 118.4° | 120.0° |
| O7 | C11 | C16 | O12 | 118.6° | 120.0° |
| O7 | C11 | C16 | O11 | 118.2° | 175.0° |
| O7 | C11 | C16 | O10 | 61.4° | 5.0° |
| C11 | O7 | C10 | C14 | 46.8° | 61.1° |
| C11 | O7 | C10 | H101 | 73.4° | 58.9° |
| O7 | C11 | C12 | H121 | 75.1° | 177.5° |
| O7 | C11 | C12 | H122 | 166.9° | 62.4° |
| O7 | C11 | O12 | C17 | 162.1° | 54.9° |
| C12 | C13 | O8 | C14 | 128.3° | 119.6° |
| C12 | C13 | O8 | H131 | 115.4° | 120.2° |
| C12 | C13 | C14 | H131 | 118.9° | 119.8° |
| C12 | C13 | C14 | C15 | 158.3° | 176.9° |
| C13 | C12 | C11 | H121 | 121.0° | 119.9° |
| C13 | C12 | C11 | H122 | 121.0° | 120.0° |
| C13 | C12 | C11 | C16 | 77.0° | 62.3° |
| C12 | C13 | C14 | C10 | 36.3° | 57.0° |
| C13 | C12 | C11 | O12 | 164.3° | 177.6° |
| C13 | C12 | H121 | H122 | 116.9° | 120.2° |
| C12 | C13 | C14 | H141 | 85.4° | 63.0° |
| C12 | C13 | O8 | H81 | 51.9° | 60.0° |
| O8 | C13 | C14 | H131 | 116.8° | 120.2° |
| O8 | C13 | C14 | C15 | 34.1° | 57.0° |
| O8 | C13 | C12 | C11 | 84.9° | 63.0° |
| O8 | C13 | C14 | C10 | 87.9° | 62.9° |
| O8 | C13 | C12 | H121 | 154.1° | 56.9° |
| O8 | C13 | C12 | H122 | 36.1° | 177.1° |
| O8 | C13 | C14 | H141 | 150.3° | 177.1° |
| C13 | C14 | C15 | C10 | 126.0° | 119.7° |
| C13 | C14 | C15 | H141 | 116.7° | 120.1° |
| C13 | C14 | C15 | N2 | 86.2° | 93.9° |
| C13 | C14 | C15 | O9 | 93.6° | 86.1° |
| C14 | C13 | C12 | C11 | 40.3° | 57.0° |
| C13 | C14 | C10 | H141 | 122.2° | 119.9° |
| C13 | C14 | C10 | H101 | 81.7° | 62.4° |
| C14 | C13 | C12 | H121 | 80.7° | 176.9° |
| C14 | C13 | C12 | H122 | 161.3° | 63.0° |
| C14 | C13 | O8 | H81 | 76.4° | 179.5° |
| C14 | C15 | N2 | O9 | 179.8° | 180.0° |
| C15 | C14 | C10 | H141 | 117.3° | 120.1° |
| C15 | C14 | C10 | H101 | 38.8° | 57.5° |
| C15 | C14 | C13 | H131 | 82.8° | 63.2° |
| C14 | C15 | N2 | H23 | 179.7° | 0.0° |
| C14 | C15 | N2 | H24 | 0.2° | 180.0° |
| N2 | C15 | C14 | C10 | 39.8° | 146.4° |
| N2 | C15 | C14 | H141 | 157.1° | 26.2° |
| C15 | N2 | H23 | H24 | 179.9° | 180.0° |
| O9 | C15 | C14 | C10 | 140.4° | 33.6° |
| O9 | C15 | C14 | H141 | 23.2° | 153.8° |
| O9 | C15 | N2 | H23 | 0.0° | 179.9° |
| O9 | C15 | N2 | H24 | 180.0° | 0.0° |
| C12 | C11 | C16 | O12 | 117.6° | 120.1° |
| C12 | C11 | C16 | O11 | 118.0° | 55.0° |
| C12 | C11 | C16 | O10 | 62.4° | 124.9° |
| C11 | C12 | H121 | H122 | 116.9° | 120.1° |
| C11 | C12 | C13 | H131 | 159.2° | 176.8° |
| C12 | C11 | O12 | C17 | 41.8° | 174.9° |
| C11 | C16 | O11 | O10 | 179.6° | 179.9° |
| C16 | C11 | C12 | H121 | 162.1° | 57.6° |
| C16 | C11 | C12 | H122 | 44.0° | 177.6° |
| C11 | C16 | O11 | H2 | 179.6° | 180.0° |
| C16 | C11 | O12 | C17 | 78.5° | 65.0° |
| O11 | C16 | C11 | O12 | 0.4° | 65.0° |
| O10 | C16 | C11 | O12 | 180.0° | 115.0° |
| O10 | C16 | O11 | H2 | 0.0° | 0.0° |
| C10 | C14 | C13 | H131 | 155.2° | 176.8° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H21 | C2 | C3 | H31 | 83.9° | 57.3° |
| H21 | C2 | C3 | H32 | 157.2° | 62.7° |
| H31 | C3 | C4 | H41 | 152.3° | 65.3° |
| H32 | C3 | C4 | H41 | 88.8° | 174.8° |
| H41 | C4 | C5 | H51 | 18.9° | 180.0° |
| H41 | C4 | O2 | H22 | 61.2° | 180.0° |
| H51 | C5 | C6 | H61 | 65.5° | 65.0° |
| H51 | C5 | C6 | H62 | 174.1° | 175.0° |
| H51 | C5 | O3 | H33 | 61.5° | 180.0° |
| H61 | C6 | O4 | H42 | 60.2° | 60.0° |
| H62 | C6 | O4 | H42 | 60.2° | 60.0° |
| H91 | C9 | H92 | H93 | 119.9° | 120.0° |
| H101 | C10 | C14 | H141 | 156.1° | 177.7° |
| O12 | C11 | C12 | H121 | 43.4° | 62.5° |
| O12 | C11 | C12 | H122 | 74.7° | 57.6° |
| C11 | O12 | C17 | H1 | 90.0° | 180.0° |
| C11 | O12 | C17 | H3 | 90.0° | 60.0° |
| C11 | O12 | C17 | H4 | 90.0° | 60.0° |
| H121 | C12 | C13 | H131 | 38.2° | 63.3° |
| H122 | C12 | C13 | H131 | 79.8° | 56.9° |
| H131 | C13 | C14 | H141 | 33.5° | 56.9° |
| H131 | C13 | O8 | H81 | 167.3° | 60.2° |
| O12 | C17 | H1 | H3 | 90.0° | 119.9° |
| O12 | C17 | H1 | H4 | 90.0° | 120.1° |
| O12 | C17 | H3 | H4 | 90.0° | 120.0° |
| H1 | C17 | H3 | H4 | 90.0° | 120.0° |
