A1IC5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C4 | N1 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | N3 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | O1 | doub | 1.21Å | 1.24Å | |
| C10 | O2 | sing | 1.34Å | 1.24Å | |
| N2 | C11 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | O3 | sing | 1.44Å | 1.45Å | |
| O3 | C13 | sing | 1.44Å | 1.40Å | |
| C13 | N4 | sing | 1.46Å | 1.43Å | |
| N4 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C14 | N5 | doub | 1.30Å | 1.33Å | Aromatic |
| N5 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C16 | N6 | sing | 1.38Å | 1.32Å | |
| C16 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| N7 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | N8 | sing | 1.32Å | 1.34Å | Aromatic |
| N8 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C19 | sing | 1.55Å | 1.51Å | |
| C19 | O4 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| C20 | O5 | sing | 1.43Å | 1.44Å | |
| C12 | C20 | sing | 1.54Å | 1.51Å | |
| N4 | C18 | sing | 1.37Å | 1.38Å | Aromatic |
| C15 | C18 | sing | 1.41Å | 1.37Å | Aromatic |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 1.01Å | 1.00Å | |
| N1 | H35 | sing | 1.01Å | 1.00Å | |
| N3 | H21 | sing | 1.01Å | 1.00Å | |
| N3 | H22 | sing | 1.01Å | 1.00Å | |
| O2 | H37 | sing | 0.97Å | 0.95Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| O5 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.7° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H5 | 108.9° | 109.5° |
| C1 | C2 | H4 | 108.9° | 109.5° |
| C2 | C3 | C4 | 121.4° | 109.5° |
| C3 | C2 | H5 | 108.9° | 109.5° |
| C3 | C2 | H4 | 108.9° | 109.4° |
| C2 | C3 | H6 | 106.4° | 109.5° |
| C2 | C3 | H7 | 106.4° | 109.5° |
| C3 | C4 | N1 | 119.0° | 109.5° |
| C3 | C4 | C5 | 123.1° | 109.5° |
| C4 | C3 | H6 | 106.5° | 109.5° |
| C4 | C3 | H7 | 106.4° | 109.4° |
| C3 | C4 | H8 | 96.2° | 109.5° |
| N1 | C4 | C5 | 114.5° | 109.5° |
| N1 | C4 | H8 | 96.1° | 109.4° |
| C4 | N1 | H10 | 109.5° | 111.0° |
| C4 | N1 | H35 | 109.4° | 111.0° |
| C4 | C5 | C6 | 118.4° | 109.5° |
| C5 | C4 | H8 | 96.0° | 109.4° |
| C4 | C5 | H11 | 107.2° | 109.5° |
| C4 | C5 | H12 | 107.2° | 109.5° |
| C5 | C6 | N2 | 110.3° | 109.5° |
| C6 | C5 | H11 | 107.2° | 109.5° |
| C6 | C5 | H12 | 107.2° | 109.5° |
| C5 | C6 | H14 | 109.3° | 109.4° |
| C5 | C6 | H13 | 109.3° | 109.4° |
| C6 | N2 | C7 | 111.9° | 111.0° |
| C6 | N2 | C11 | 112.0° | 111.0° |
| N2 | C6 | H14 | 109.2° | 109.5° |
| N2 | C6 | H13 | 109.3° | 109.5° |
| N2 | C7 | C8 | 109.9° | 109.5° |
| C7 | N2 | C11 | 112.7° | 111.0° |
| N2 | C7 | H16 | 109.4° | 109.4° |
| N2 | C7 | H15 | 109.4° | 109.4° |
| C7 | C8 | C9 | 115.4° | 109.4° |
| C8 | C7 | H16 | 109.4° | 109.5° |
| C8 | C7 | H15 | 109.4° | 109.5° |
| C7 | C8 | H17 | 108.0° | 109.5° |
| C7 | C8 | H18 | 108.0° | 109.5° |
| C8 | C9 | N3 | 111.1° | 109.5° |
| C8 | C9 | C10 | 110.9° | 109.5° |
| C9 | C8 | H17 | 108.0° | 109.4° |
| C9 | C8 | H18 | 108.0° | 109.4° |
| C8 | C9 | H19 | 108.1° | 109.5° |
| N3 | C9 | C10 | 109.7° | 109.4° |
| N3 | C9 | H19 | 108.7° | 109.5° |
| C9 | N3 | H21 | 109.5° | 111.0° |
| C9 | N3 | H22 | 109.5° | 111.0° |
| C9 | C10 | O1 | 115.4° | 120.0° |
| C9 | C10 | O2 | 116.7° | 120.0° |
| C10 | C9 | H19 | 108.2° | 109.5° |
| O1 | C10 | O2 | 127.8° | 120.0° |
| C10 | O2 | H37 | 109.5° | 117.0° |
| N2 | C11 | C12 | 110.4° | 109.5° |
| N2 | C11 | H23 | 109.2° | 109.4° |
| N2 | C11 | H24 | 109.3° | 109.5° |
| C11 | C12 | O3 | 107.2° | 109.9° |
| C11 | C12 | C20 | 116.3° | 109.9° |
| C12 | C11 | H23 | 109.2° | 109.5° |
| C12 | C11 | H24 | 109.2° | 109.5° |
| C11 | C12 | H25 | 108.6° | 109.8° |
| C12 | O3 | C13 | 107.8° | 107.0° |
| O3 | C12 | C20 | 106.2° | 107.3° |
| O3 | C12 | H25 | 109.5° | 109.9° |
| O3 | C13 | N4 | 109.0° | 110.6° |
| O3 | C13 | C19 | 104.4° | 103.5° |
| O3 | C13 | H26 | 110.3° | 110.6° |
| C13 | N4 | C14 | 128.4° | 126.3° |
| N4 | C13 | C19 | 114.6° | 110.6° |
| C13 | N4 | C18 | 125.2° | 126.3° |
| N4 | C13 | H26 | 109.8° | 110.6° |
| N4 | C14 | N5 | 112.8° | 110.0° |
| C14 | N4 | C18 | 105.4° | 107.4° |
| N4 | C14 | H27 | 123.6° | 125.0° |
| C14 | N5 | C15 | 104.4° | 109.4° |
| N5 | C14 | H27 | 123.5° | 125.0° |
| N5 | C15 | C16 | 132.0° | 134.7° |
| N5 | C15 | C18 | 110.3° | 107.1° |
| C15 | C16 | N6 | 122.6° | 120.8° |
| C15 | C16 | N7 | 117.4° | 118.4° |
| C16 | C15 | C18 | 117.5° | 118.2° |
| N6 | C16 | N7 | 119.9° | 120.8° |
| C16 | N6 | H28 | 109.5° | 120.0° |
| C16 | N6 | H29 | 109.5° | 120.0° |
| C16 | N7 | C17 | 118.2° | 121.2° |
| N7 | C17 | N8 | 128.9° | 122.4° |
| N7 | C17 | H30 | 115.6° | 118.8° |
| C17 | N8 | C18 | 111.5° | 120.7° |
| N8 | C17 | H30 | 115.5° | 118.8° |
| N8 | C18 | N4 | 126.7° | 134.9° |
| N8 | C18 | C15 | 126.4° | 119.0° |
| C13 | C19 | O4 | 113.7° | 110.9° |
| C13 | C19 | C20 | 100.6° | 102.1° |
| C19 | C13 | H26 | 108.7° | 110.8° |
| C13 | C19 | H31 | 108.0° | 111.0° |
| O4 | C19 | C20 | 117.0° | 110.9° |
| O4 | C19 | H31 | 109.2° | 110.8° |
| C19 | O4 | H32 | 109.5° | 114.0° |
| C19 | C20 | O5 | 113.5° | 110.5° |
| C19 | C20 | C12 | 104.3° | 104.2° |
| C20 | C19 | H31 | 107.8° | 111.0° |
| C19 | C20 | H33 | 107.8° | 110.5° |
| O5 | C20 | C12 | 114.0° | 110.5° |
| O5 | C20 | H33 | 108.9° | 110.5° |
| C20 | O5 | H34 | 109.5° | 114.0° |
| C20 | C12 | H25 | 108.8° | 110.0° |
| C12 | C20 | H33 | 108.1° | 110.5° |
| N4 | C18 | C15 | 106.7° | 106.0° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| H11 | C5 | H12 | 109.4° | 109.4° |
| H14 | C6 | H13 | 109.5° | 109.5° |
| H16 | C7 | H15 | 109.5° | 109.5° |
| H17 | C8 | H18 | 109.4° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.4° |
| H10 | N1 | H35 | 109.5° | 111.0° |
| H21 | N3 | H22 | 109.4° | 111.1° |
| H28 | N6 | H29 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H5 | 120.4° | 120.0° |
| C1 | C2 | C3 | H4 | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 154.9° | 180.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C1 | C2 | H5 | H4 | 119.0° | 120.1° |
| C1 | C2 | C3 | H6 | 33.2° | 60.0° |
| C1 | C2 | C3 | H7 | 83.5° | 60.1° |
| C2 | C3 | C4 | H6 | 121.7° | 120.1° |
| C2 | C3 | C4 | H7 | 121.7° | 120.0° |
| C2 | C3 | C4 | N1 | 1.5° | 64.9° |
| C2 | C3 | C4 | C5 | 159.7° | 175.0° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C3 | C2 | H5 | H4 | 118.9° | 119.9° |
| C2 | C3 | H6 | H7 | 114.6° | 120.1° |
| C2 | C3 | C4 | H8 | 99.0° | 55.0° |
| C3 | C4 | N1 | C5 | 159.9° | 120.1° |
| C3 | C4 | N1 | H8 | 100.6° | 120.0° |
| C3 | C4 | C5 | H8 | 101.5° | 120.0° |
| C3 | C4 | C5 | C6 | 6.6° | 175.0° |
| C4 | C3 | C2 | H5 | 84.8° | 59.9° |
| C4 | C3 | C2 | H4 | 34.5° | 60.1° |
| C4 | C3 | H6 | H7 | 114.6° | 119.9° |
| C3 | C4 | C5 | H11 | 127.9° | 54.9° |
| C3 | C4 | C5 | H12 | 114.7° | 65.0° |
| C3 | C4 | N1 | H10 | 180.0° | 60.0° |
| C3 | C4 | N1 | H35 | 60.0° | 63.9° |
| N1 | C4 | C5 | H8 | 99.5° | 119.9° |
| N1 | C4 | C5 | C6 | 152.4° | 64.9° |
| N1 | C4 | C3 | H6 | 123.2° | 175.0° |
| N1 | C4 | C3 | H7 | 120.1° | 55.0° |
| N1 | C4 | C5 | H11 | 31.1° | 175.0° |
| N1 | C4 | C5 | H12 | 86.4° | 55.1° |
| C4 | N1 | H10 | H35 | 120.0° | 123.9° |
| C4 | C5 | C6 | H11 | 121.3° | 120.0° |
| C4 | C5 | C6 | H12 | 121.3° | 120.0° |
| C4 | C5 | C6 | N2 | 173.4° | 180.0° |
| C5 | C4 | C3 | H6 | 78.7° | 54.9° |
| C5 | C4 | C3 | H7 | 38.0° | 65.0° |
| C4 | C5 | H11 | H12 | 116.0° | 120.0° |
| C4 | C5 | C6 | H14 | 53.2° | 60.0° |
| C4 | C5 | C6 | H13 | 66.5° | 60.0° |
| C5 | C4 | N1 | H10 | 20.0° | 60.1° |
| C5 | C4 | N1 | H35 | 99.9° | 176.0° |
| C5 | C6 | N2 | H14 | 120.1° | 120.0° |
| C5 | C6 | N2 | H13 | 120.1° | 119.9° |
| C5 | C6 | N2 | C7 | 65.3° | 66.1° |
| C5 | C6 | N2 | C11 | 62.3° | 170.0° |
| C6 | C5 | C4 | H8 | 108.1° | 55.0° |
| C6 | C5 | H11 | H12 | 116.0° | 120.0° |
| C5 | C6 | H14 | H13 | 119.6° | 119.9° |
| C6 | N2 | C7 | C11 | 127.2° | 124.0° |
| C6 | N2 | C7 | C8 | 114.3° | 163.9° |
| C6 | N2 | C11 | C12 | 153.6° | 75.9° |
| N2 | C6 | C5 | H11 | 65.3° | 60.0° |
| N2 | C6 | C5 | H12 | 52.1° | 60.0° |
| N2 | C6 | H14 | H13 | 119.6° | 120.1° |
| C6 | N2 | C7 | H16 | 5.7° | 76.2° |
| C6 | N2 | C7 | H15 | 125.6° | 43.9° |
| C6 | N2 | C11 | H23 | 86.2° | 44.1° |
| C6 | N2 | C11 | H24 | 33.5° | 164.0° |
| N2 | C7 | C8 | H16 | 120.1° | 119.9° |
| N2 | C7 | C8 | H15 | 120.1° | 120.0° |
| N2 | C7 | C8 | C9 | 172.3° | 174.7° |
| C7 | N2 | C11 | C12 | 79.2° | 160.1° |
| C7 | N2 | C6 | H14 | 174.6° | 53.9° |
| C7 | N2 | C6 | H13 | 54.9° | 174.0° |
| N2 | C7 | H16 | H15 | 119.9° | 120.0° |
| N2 | C7 | C8 | H17 | 66.8° | 65.3° |
| N2 | C7 | C8 | H18 | 51.4° | 54.8° |
| C7 | N2 | C11 | H23 | 40.9° | 79.9° |
| C7 | N2 | C11 | H24 | 160.6° | 40.0° |
| C7 | C8 | C9 | H17 | 120.9° | 120.0° |
| C7 | C8 | C9 | H18 | 120.9° | 120.0° |
| C7 | C8 | C9 | N3 | 57.8° | 64.3° |
| C7 | C8 | C9 | C10 | 64.5° | 175.8° |
| C8 | C7 | N2 | C11 | 118.5° | 72.2° |
| C8 | C7 | H16 | H15 | 119.8° | 120.1° |
| C7 | C8 | H17 | H18 | 117.3° | 120.1° |
| C7 | C8 | C9 | H19 | 177.0° | 55.8° |
| C8 | C9 | N3 | C10 | 123.0° | 120.0° |
| C8 | C9 | N3 | H19 | 118.9° | 120.0° |
| C8 | C9 | C10 | H19 | 118.4° | 120.0° |
| C8 | C9 | C10 | O1 | 110.0° | 94.6° |
| C8 | C9 | C10 | O2 | 69.4° | 85.4° |
| C9 | C8 | C7 | H16 | 52.2° | 65.3° |
| C9 | C8 | C7 | H15 | 67.7° | 54.7° |
| C9 | C8 | H17 | H18 | 117.3° | 119.9° |
| C8 | C9 | N3 | H21 | 180.0° | 176.0° |
| C8 | C9 | N3 | H22 | 60.0° | 59.9° |
| N3 | C9 | C10 | H19 | 118.4° | 119.9° |
| N3 | C9 | C10 | O1 | 13.1° | 25.4° |
| N3 | C9 | C10 | O2 | 167.5° | 154.6° |
| N3 | C9 | C8 | H17 | 63.1° | 175.7° |
| N3 | C9 | C8 | H18 | 178.7° | 55.7° |
| C9 | N3 | H21 | H22 | 120.0° | 124.0° |
| C9 | C10 | O1 | O2 | 179.2° | 179.9° |
| C10 | C9 | C8 | H17 | 174.6° | 55.7° |
| C10 | C9 | C8 | H18 | 56.4° | 64.3° |
| C10 | C9 | N3 | H21 | 57.0° | 64.0° |
| C10 | C9 | N3 | H22 | 63.0° | 60.1° |
| C9 | C10 | O2 | H37 | 179.2° | 180.0° |
| O1 | C10 | C9 | H19 | 131.6° | 145.4° |
| O1 | C10 | O2 | H37 | 0.0° | 0.1° |
| O2 | C10 | C9 | H19 | 49.1° | 34.7° |
| N2 | C11 | C12 | H23 | 120.1° | 120.0° |
| N2 | C11 | C12 | H24 | 120.2° | 120.0° |
| N2 | C11 | C12 | O3 | 172.3° | 60.8° |
| N2 | C11 | C12 | C20 | 69.1° | 178.7° |
| C11 | N2 | C6 | H14 | 57.8° | 70.0° |
| C11 | N2 | C6 | H13 | 177.5° | 50.0° |
| C11 | N2 | C7 | H16 | 121.5° | 47.8° |
| C11 | N2 | C7 | H15 | 1.6° | 167.8° |
| N2 | C11 | H23 | H24 | 119.6° | 120.0° |
| N2 | C11 | C12 | H25 | 54.0° | 60.2° |
| C11 | C12 | O3 | C20 | 125.0° | 119.4° |
| C11 | C12 | O3 | H25 | 117.7° | 121.0° |
| C11 | C12 | O3 | C13 | 141.7° | 145.9° |
| C11 | C12 | C20 | C19 | 109.6° | 121.4° |
| C11 | C12 | C20 | O5 | 126.1° | 119.9° |
| C11 | C12 | C20 | H25 | 123.0° | 121.0° |
| C12 | C11 | H23 | H24 | 119.5° | 120.0° |
| C11 | C12 | C20 | H33 | 4.9° | 2.8° |
| C12 | O3 | C13 | N4 | 159.4° | 158.5° |
| C12 | O3 | C13 | C19 | 36.6° | 40.1° |
| O3 | C12 | C20 | C19 | 9.7° | 2.0° |
| O3 | C12 | C20 | O5 | 114.7° | 120.7° |
| O3 | C12 | C20 | H25 | 117.8° | 119.5° |
| O3 | C12 | C11 | H23 | 52.1° | 179.2° |
| O3 | C12 | C11 | H24 | 67.5° | 59.2° |
| C12 | O3 | C13 | H26 | 80.0° | 78.6° |
| O3 | C12 | C20 | H33 | 124.1° | 116.7° |
| O3 | C13 | N4 | C19 | 116.5° | 114.0° |
| O3 | C13 | N4 | H26 | 120.9° | 122.9° |
| O3 | C13 | N4 | C14 | 70.5° | 23.5° |
| O3 | C13 | C19 | H26 | 117.7° | 118.5° |
| O3 | C13 | C19 | O4 | 166.7° | 155.2° |
| O3 | C13 | C19 | C20 | 40.9° | 37.0° |
| C13 | O3 | C12 | C20 | 16.7° | 26.5° |
| O3 | C13 | N4 | C18 | 96.1° | 156.7° |
| C13 | O3 | C12 | H25 | 100.6° | 93.1° |
| O3 | C13 | C19 | H31 | 71.9° | 81.3° |
| C13 | N4 | C14 | C18 | 168.7° | 179.8° |
| C13 | N4 | C14 | N5 | 174.5° | 180.0° |
| C13 | N4 | C18 | N8 | 11.0° | 0.7° |
| N4 | C13 | C19 | H26 | 123.2° | 123.0° |
| N4 | C13 | C19 | O4 | 74.2° | 86.3° |
| N4 | C13 | C19 | C20 | 160.0° | 155.5° |
| C13 | N4 | C18 | C15 | 172.8° | 179.8° |
| C13 | N4 | C14 | H27 | 5.5° | 0.0° |
| N4 | C13 | C19 | H31 | 47.2° | 37.2° |
| N4 | C14 | N5 | H27 | 180.0° | 179.9° |
| N4 | C14 | N5 | C15 | 5.4° | 0.1° |
| C14 | N4 | C18 | N8 | 179.8° | 179.5° |
| C14 | N4 | C13 | C19 | 45.9° | 90.5° |
| C14 | N4 | C18 | C15 | 3.6° | 0.3° |
| C14 | N4 | C13 | H26 | 168.6° | 146.4° |
| C14 | N5 | C15 | C16 | 177.0° | 180.0° |
| N5 | C14 | N4 | C18 | 5.8° | 0.2° |
| C14 | N5 | C15 | C18 | 2.9° | 0.3° |
| N5 | C15 | C16 | C18 | 173.8° | 179.7° |
| N5 | C15 | C16 | N6 | 5.1° | 0.1° |
| N5 | C15 | C16 | N7 | 177.9° | 180.0° |
| N5 | C15 | C18 | N8 | 176.8° | 179.7° |
| N5 | C15 | C18 | N4 | 0.5° | 0.4° |
| C15 | N5 | C14 | H27 | 174.6° | 180.0° |
| C15 | C16 | N6 | N7 | 176.9° | 180.0° |
| C15 | C16 | N7 | C17 | 3.6° | 0.0° |
| C16 | C15 | C18 | N8 | 1.6° | 0.6° |
| C16 | C15 | C18 | N4 | 174.6° | 179.9° |
| C15 | C16 | N6 | H28 | 176.9° | 0.0° |
| C15 | C16 | N6 | H29 | 56.9° | 180.0° |
| N6 | C16 | N7 | C17 | 179.3° | 180.0° |
| N6 | C16 | C15 | C18 | 178.9° | 179.7° |
| C16 | N6 | H28 | H29 | 120.0° | 180.0° |
| C16 | N7 | C17 | N8 | 0.6° | 0.0° |
| N7 | C16 | C15 | C18 | 4.1° | 0.3° |
| N7 | C16 | N6 | H28 | 0.0° | 180.0° |
| N7 | C16 | N6 | H29 | 120.0° | 0.0° |
| C16 | N7 | C17 | H30 | 179.4° | 180.0° |
| N7 | C17 | N8 | H30 | 180.0° | 180.0° |
| N7 | C17 | N8 | C18 | 1.8° | 0.3° |
| C17 | N8 | C18 | N4 | 176.7° | 179.6° |
| C17 | N8 | C18 | C15 | 1.2° | 0.6° |
| N8 | C18 | N4 | C15 | 176.2° | 179.1° |
| C18 | N8 | C17 | H30 | 178.2° | 179.7° |
| C13 | C19 | O4 | C20 | 116.6° | 112.7° |
| C13 | C19 | O4 | H31 | 120.6° | 123.6° |
| C13 | C19 | C20 | H31 | 112.9° | 118.3° |
| C13 | C19 | C20 | O5 | 94.8° | 97.8° |
| C13 | C19 | C20 | C12 | 29.9° | 20.9° |
| C19 | C13 | N4 | C18 | 147.4° | 89.3° |
| C13 | C19 | O4 | H32 | 180.0° | 180.0° |
| C13 | C19 | C20 | H33 | 144.5° | 139.6° |
| O4 | C19 | C20 | H31 | 123.5° | 123.5° |
| O4 | C19 | C20 | O5 | 28.8° | 20.4° |
| O4 | C19 | C20 | C12 | 153.4° | 139.1° |
| O4 | C19 | C13 | H26 | 49.0° | 36.7° |
| O4 | C19 | C20 | H33 | 91.9° | 102.3° |
| C19 | C20 | O5 | C12 | 119.2° | 114.8° |
| C19 | C20 | O5 | H33 | 120.0° | 122.6° |
| C19 | C20 | C12 | H33 | 114.5° | 118.7° |
| C19 | C20 | C12 | H25 | 127.5° | 117.5° |
| C20 | C19 | C13 | H26 | 76.8° | 81.5° |
| C20 | C19 | O4 | H32 | 63.4° | 67.4° |
| C19 | C20 | O5 | H34 | 180.0° | 65.2° |
| O5 | C20 | C12 | H33 | 121.2° | 122.7° |
| O5 | C20 | C12 | H25 | 3.2° | 1.2° |
| O5 | C20 | C19 | H31 | 152.3° | 143.9° |
| C20 | C12 | C11 | H23 | 170.8° | 61.3° |
| C20 | C12 | C11 | H24 | 51.1° | 58.7° |
| C12 | C20 | C19 | H31 | 83.1° | 97.4° |
| C12 | C20 | O5 | H34 | 60.8° | 180.0° |
| C18 | N4 | C13 | H26 | 24.7° | 33.8° |
| C18 | N4 | C14 | H27 | 174.2° | 179.8° |
| H3 | C1 | H2 | H1 | 120.0° | 120.0° |
| H3 | C1 | C2 | H5 | 59.7° | 180.0° |
| H3 | C1 | C2 | H4 | 59.6° | 59.9° |
| H2 | C1 | C2 | H5 | 60.4° | 60.0° |
| H2 | C1 | C2 | H4 | 179.7° | 60.1° |
| H1 | C1 | C2 | H5 | 179.7° | 60.0° |
| H1 | C1 | C2 | H4 | 60.3° | 179.9° |
| H5 | C2 | C3 | H6 | 153.5° | 180.0° |
| H5 | C2 | C3 | H7 | 36.9° | 60.0° |
| H4 | C2 | C3 | H6 | 87.2° | 60.0° |
| H4 | C2 | C3 | H7 | 156.2° | 179.9° |
| H6 | C3 | C4 | H8 | 22.7° | 65.1° |
| H7 | C3 | C4 | H8 | 139.3° | 175.0° |
| H8 | C4 | C5 | H11 | 130.6° | 65.1° |
| H8 | C4 | C5 | H12 | 13.2° | 175.0° |
| H8 | C4 | N1 | H10 | 79.4° | 180.0° |
| H8 | C4 | N1 | H35 | 160.6° | 56.1° |
| H11 | C5 | C6 | H14 | 174.5° | 180.0° |
| H11 | C5 | C6 | H13 | 54.8° | 60.0° |
| H12 | C5 | C6 | H14 | 68.0° | 60.1° |
| H12 | C5 | C6 | H13 | 172.2° | 180.0° |
| H16 | C7 | C8 | H17 | 173.1° | 54.6° |
| H16 | C7 | C8 | H18 | 68.7° | 174.7° |
| H15 | C7 | C8 | H17 | 53.2° | 174.7° |
| H15 | C7 | C8 | H18 | 171.5° | 65.2° |
| H17 | C8 | C9 | H19 | 56.1° | 64.3° |
| H18 | C8 | C9 | H19 | 62.1° | 175.7° |
| H19 | C9 | N3 | H21 | 61.2° | 56.0° |
| H19 | C9 | N3 | H22 | 178.9° | 180.0° |
| H23 | C11 | C12 | H25 | 66.1° | 59.8° |
| H24 | C11 | C12 | H25 | 174.2° | 179.8° |
| H25 | C12 | C20 | H33 | 118.0° | 123.8° |
| H26 | C13 | C19 | H31 | 170.4° | 160.2° |
| H31 | C19 | O4 | H32 | 59.3° | 56.3° |
| H31 | C19 | C20 | H33 | 31.6° | 21.3° |
| H33 | C20 | O5 | H34 | 60.0° | 57.4° |
