A1IDY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C5 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | O1 | doub | 1.21Å | 1.25Å | |
| C8 | O2 | sing | 1.34Å | 1.25Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | O3 | sing | 1.44Å | 1.45Å | |
| O3 | C11 | sing | 1.44Å | 1.41Å | |
| C11 | N4 | sing | 1.46Å | 1.46Å | |
| N4 | C12 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | N5 | doub | 1.30Å | 1.31Å | Aromatic |
| N5 | C13 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | N6 | sing | 1.38Å | 1.33Å | |
| C14 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| N7 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | N8 | sing | 1.32Å | 1.32Å | Aromatic |
| N8 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | C17 | sing | 1.55Å | 1.52Å | |
| C17 | O4 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | sing | 1.55Å | 1.54Å | |
| C18 | O5 | sing | 1.43Å | 1.43Å | |
| C10 | C18 | sing | 1.54Å | 1.55Å | |
| N4 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | C16 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H31 | sing | 1.01Å | 1.00Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 1.01Å | 1.00Å | |
| N3 | H17 | sing | 1.01Å | 1.00Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| O5 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 116.6° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C1 | N1 | H31 | 107.7° | 111.0° |
| N1 | C2 | C3 | 115.0° | 109.4° |
| N1 | C2 | H5 | 108.0° | 109.5° |
| N1 | C2 | H6 | 108.1° | 109.4° |
| C2 | N1 | H31 | 107.6° | 111.0° |
| C2 | C3 | C4 | 112.0° | 109.4° |
| C3 | C2 | H5 | 108.1° | 109.5° |
| C3 | C2 | H6 | 108.1° | 109.5° |
| C2 | C3 | H7 | 108.9° | 109.5° |
| C2 | C3 | H8 | 108.9° | 109.5° |
| C3 | C4 | N2 | 117.6° | 109.4° |
| C3 | C4 | H9 | 107.4° | 109.5° |
| C3 | C4 | H10 | 107.4° | 109.5° |
| C4 | C3 | H7 | 108.8° | 109.5° |
| C4 | C3 | H8 | 108.8° | 109.5° |
| C4 | N2 | C5 | 118.7° | 111.0° |
| C4 | N2 | C9 | 116.3° | 111.0° |
| N2 | C4 | H9 | 107.4° | 109.4° |
| N2 | C4 | H10 | 107.4° | 109.5° |
| N2 | C5 | C6 | 109.8° | 109.4° |
| C5 | N2 | C9 | 116.8° | 111.0° |
| N2 | C5 | H11 | 109.4° | 109.5° |
| N2 | C5 | H12 | 109.4° | 109.5° |
| C5 | C6 | C7 | 115.1° | 109.4° |
| C6 | C5 | H11 | 109.4° | 109.4° |
| C6 | C5 | H12 | 109.4° | 109.5° |
| C5 | C6 | H13 | 108.1° | 109.4° |
| C5 | C6 | H14 | 108.1° | 109.5° |
| C6 | C7 | N3 | 108.8° | 109.5° |
| C6 | C7 | C8 | 109.9° | 109.5° |
| C6 | C7 | H15 | 109.2° | 109.5° |
| C7 | C6 | H13 | 108.1° | 109.4° |
| C7 | C6 | H14 | 108.0° | 109.5° |
| N3 | C7 | C8 | 110.3° | 109.5° |
| N3 | C7 | H15 | 109.6° | 109.5° |
| C7 | N3 | H16 | 109.5° | 111.0° |
| C7 | N3 | H17 | 109.4° | 111.1° |
| C7 | C8 | O1 | 116.7° | 120.1° |
| C7 | C8 | O2 | 117.6° | 120.0° |
| C8 | C7 | H15 | 109.1° | 109.4° |
| O1 | C8 | O2 | 125.7° | 120.0° |
| C8 | O2 | H33 | 109.5° | 117.0° |
| N2 | C9 | C10 | 111.7° | 109.5° |
| N2 | C9 | H19 | 108.9° | 109.4° |
| N2 | C9 | H20 | 108.9° | 109.5° |
| C9 | C10 | O3 | 109.4° | 109.8° |
| C9 | C10 | C18 | 116.0° | 109.9° |
| C10 | C9 | H19 | 108.9° | 109.5° |
| C10 | C9 | H20 | 108.9° | 109.5° |
| C9 | C10 | H21 | 108.4° | 109.8° |
| C10 | O3 | C11 | 107.5° | 107.0° |
| O3 | C10 | C18 | 105.8° | 107.3° |
| O3 | C10 | H21 | 109.3° | 109.9° |
| O3 | C11 | N4 | 107.3° | 110.6° |
| O3 | C11 | C17 | 105.4° | 103.5° |
| O3 | C11 | H22 | 110.7° | 110.6° |
| C11 | N4 | C12 | 129.2° | 126.3° |
| N4 | C11 | C17 | 114.1° | 110.6° |
| C11 | N4 | C16 | 124.4° | 126.3° |
| N4 | C11 | H22 | 110.0° | 110.5° |
| N4 | C12 | N5 | 113.1° | 110.0° |
| C12 | N4 | C16 | 106.2° | 107.4° |
| N4 | C12 | H23 | 123.5° | 125.0° |
| C12 | N5 | C13 | 104.7° | 109.4° |
| N5 | C12 | H23 | 123.5° | 125.0° |
| N5 | C13 | C14 | 132.5° | 134.7° |
| N5 | C13 | C16 | 110.3° | 107.1° |
| C13 | C14 | N6 | 122.6° | 120.8° |
| C13 | C14 | N7 | 117.2° | 118.4° |
| C14 | C13 | C16 | 117.1° | 118.2° |
| N6 | C14 | N7 | 120.2° | 120.8° |
| C14 | N6 | H25 | 109.5° | 120.0° |
| C14 | N6 | H24 | 109.5° | 120.0° |
| C14 | N7 | C15 | 119.2° | 121.2° |
| N7 | C15 | N8 | 128.4° | 122.5° |
| N7 | C15 | H26 | 115.8° | 118.8° |
| C15 | N8 | C16 | 111.5° | 120.6° |
| N8 | C15 | H26 | 115.8° | 118.7° |
| N8 | C16 | N4 | 127.8° | 134.9° |
| N8 | C16 | C13 | 126.5° | 119.1° |
| C11 | C17 | O4 | 114.4° | 110.9° |
| C11 | C17 | C18 | 100.5° | 102.1° |
| C17 | C11 | H22 | 109.2° | 110.8° |
| C11 | C17 | H27 | 108.5° | 110.9° |
| O4 | C17 | C18 | 114.8° | 110.9° |
| O4 | C17 | H27 | 109.9° | 110.8° |
| C17 | O4 | H28 | 109.5° | 114.1° |
| C17 | C18 | O5 | 114.2° | 110.5° |
| C17 | C18 | C10 | 104.3° | 104.2° |
| C18 | C17 | H27 | 108.2° | 110.9° |
| C17 | C18 | H29 | 108.6° | 110.5° |
| O5 | C18 | C10 | 110.9° | 110.5° |
| O5 | C18 | H29 | 110.1° | 110.6° |
| C18 | O5 | H30 | 109.5° | 114.1° |
| C18 | C10 | H21 | 108.0° | 110.0° |
| C10 | C18 | H29 | 108.5° | 110.5° |
| N4 | C16 | C13 | 105.7° | 106.1° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H25 | N6 | H24 | 109.5° | 119.9° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H13 | C6 | H14 | 109.4° | 109.5° |
| H16 | N3 | H17 | 109.5° | 111.0° |
| H19 | C9 | H20 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H31 | 121.1° | 123.9° |
| C1 | N1 | C2 | C3 | 72.6° | 180.0° |
| C1 | N1 | C2 | H5 | 166.6° | 60.0° |
| C1 | N1 | C2 | H6 | 48.2° | 60.1° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | C3 | H5 | 120.8° | 120.0° |
| N1 | C2 | C3 | H6 | 120.8° | 119.9° |
| N1 | C2 | C3 | C4 | 161.8° | 180.0° |
| N1 | C2 | H5 | H6 | 117.5° | 120.0° |
| N1 | C2 | C3 | H7 | 41.4° | 60.1° |
| N1 | C2 | C3 | H8 | 77.9° | 60.0° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | H2 | 60.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | C4 | H7 | 120.4° | 120.0° |
| C2 | C3 | C4 | H8 | 120.4° | 120.0° |
| C2 | C3 | C4 | N2 | 58.9° | 180.0° |
| C3 | C2 | H5 | H6 | 117.5° | 120.1° |
| C2 | C3 | C4 | H9 | 62.3° | 60.0° |
| C2 | C3 | C4 | H10 | 180.0° | 60.0° |
| C2 | C3 | H7 | H8 | 118.9° | 120.0° |
| C3 | C2 | N1 | H31 | 48.4° | 56.1° |
| C3 | C4 | N2 | H9 | 121.2° | 120.0° |
| C3 | C4 | N2 | H10 | 121.2° | 120.0° |
| C3 | C4 | N2 | C5 | 49.8° | 66.1° |
| C3 | C4 | N2 | C9 | 97.7° | 169.9° |
| C4 | C3 | C2 | H5 | 77.4° | 60.0° |
| C4 | C3 | C2 | H6 | 40.9° | 60.0° |
| C3 | C4 | H9 | H10 | 116.3° | 120.0° |
| C4 | C3 | H7 | H8 | 118.8° | 120.0° |
| C4 | N2 | C5 | C9 | 147.4° | 123.9° |
| C4 | N2 | C5 | C6 | 92.3° | 164.4° |
| C4 | N2 | C9 | C10 | 124.4° | 75.5° |
| C4 | N2 | C5 | H11 | 27.8° | 44.4° |
| C4 | N2 | C5 | H12 | 147.6° | 75.6° |
| N2 | C4 | H9 | H10 | 116.3° | 120.0° |
| N2 | C4 | C3 | H7 | 179.3° | 60.1° |
| N2 | C4 | C3 | H8 | 61.5° | 60.0° |
| C4 | N2 | C9 | H19 | 115.2° | 164.4° |
| C4 | N2 | C9 | H20 | 4.1° | 44.5° |
| N2 | C5 | C6 | H11 | 120.1° | 120.0° |
| N2 | C5 | C6 | H12 | 120.0° | 120.0° |
| N2 | C5 | C6 | C7 | 172.2° | 175.0° |
| C5 | N2 | C9 | C10 | 87.4° | 160.5° |
| N2 | C5 | H11 | H12 | 119.9° | 120.0° |
| C5 | N2 | C4 | H9 | 171.0° | 53.9° |
| C5 | N2 | C4 | H10 | 71.3° | 174.0° |
| N2 | C5 | C6 | H13 | 67.0° | 65.0° |
| N2 | C5 | C6 | H14 | 51.3° | 55.0° |
| C5 | N2 | C9 | H19 | 33.0° | 40.4° |
| C5 | N2 | C9 | H20 | 152.2° | 79.5° |
| C5 | C6 | C7 | H13 | 120.9° | 119.9° |
| C5 | C6 | C7 | H14 | 120.8° | 120.0° |
| C5 | C6 | C7 | N3 | 58.5° | 65.7° |
| C5 | C6 | C7 | C8 | 62.3° | 174.2° |
| C6 | C5 | N2 | C9 | 120.3° | 71.7° |
| C6 | C5 | H11 | H12 | 119.9° | 120.1° |
| C5 | C6 | C7 | H15 | 178.0° | 54.3° |
| C5 | C6 | H13 | H14 | 117.5° | 120.0° |
| C6 | C7 | N3 | C8 | 120.6° | 120.0° |
| C6 | C7 | N3 | H15 | 119.3° | 120.0° |
| C6 | C7 | C8 | H15 | 119.6° | 120.0° |
| C6 | C7 | C8 | O1 | 109.2° | 101.4° |
| C6 | C7 | C8 | O2 | 69.4° | 78.6° |
| C7 | C6 | C5 | H11 | 52.1° | 55.1° |
| C7 | C6 | C5 | H12 | 67.8° | 65.0° |
| C7 | C6 | H13 | H14 | 117.4° | 120.0° |
| C6 | C7 | N3 | H16 | 180.0° | 60.0° |
| C6 | C7 | N3 | H17 | 60.0° | 64.0° |
| N3 | C7 | C8 | H15 | 120.5° | 120.0° |
| N3 | C7 | C8 | O1 | 10.7° | 18.6° |
| N3 | C7 | C8 | O2 | 170.7° | 161.4° |
| N3 | C7 | C6 | H13 | 62.4° | 174.3° |
| N3 | C7 | C6 | H14 | 179.3° | 54.3° |
| C7 | N3 | H16 | H17 | 120.0° | 124.0° |
| C7 | C8 | O1 | O2 | 178.5° | 180.0° |
| C8 | C7 | C6 | H13 | 176.8° | 54.3° |
| C8 | C7 | C6 | H14 | 58.5° | 65.7° |
| C8 | C7 | N3 | H16 | 59.5° | 60.0° |
| C8 | C7 | N3 | H17 | 60.6° | 176.0° |
| C7 | C8 | O2 | H33 | 178.5° | 180.0° |
| O1 | C8 | C7 | H15 | 131.1° | 138.6° |
| O1 | C8 | O2 | H33 | 0.0° | 0.0° |
| O2 | C8 | C7 | H15 | 50.2° | 41.4° |
| N2 | C9 | C10 | H19 | 120.4° | 120.0° |
| N2 | C9 | C10 | H20 | 120.3° | 120.0° |
| N2 | C9 | C10 | O3 | 173.4° | 63.0° |
| N2 | C9 | C10 | C18 | 67.1° | 179.1° |
| C9 | N2 | C5 | H11 | 119.6° | 168.4° |
| C9 | N2 | C5 | H12 | 0.2° | 48.3° |
| C9 | N2 | C4 | H9 | 23.5° | 70.1° |
| C9 | N2 | C4 | H10 | 141.1° | 50.0° |
| N2 | C9 | H19 | H20 | 119.0° | 119.9° |
| N2 | C9 | C10 | H21 | 54.4° | 58.0° |
| C9 | C10 | O3 | C18 | 125.6° | 119.4° |
| C9 | C10 | O3 | H21 | 118.5° | 121.0° |
| C9 | C10 | O3 | C11 | 146.1° | 146.0° |
| C9 | C10 | C18 | C17 | 116.3° | 121.5° |
| C9 | C10 | C18 | O5 | 120.3° | 119.9° |
| C9 | C10 | C18 | H21 | 121.7° | 121.0° |
| C10 | C9 | H19 | H20 | 119.0° | 120.0° |
| C9 | C10 | C18 | H29 | 0.7° | 2.8° |
| C10 | O3 | C11 | N4 | 160.9° | 158.6° |
| C10 | O3 | C11 | C17 | 38.8° | 40.1° |
| O3 | C10 | C18 | C17 | 5.1° | 2.1° |
| O3 | C10 | C18 | O5 | 118.3° | 120.7° |
| O3 | C10 | C18 | H21 | 116.9° | 119.6° |
| O3 | C10 | C9 | H19 | 53.1° | 56.9° |
| O3 | C10 | C9 | H20 | 66.2° | 176.9° |
| C10 | O3 | C11 | H22 | 79.1° | 78.6° |
| O3 | C10 | C18 | H29 | 120.7° | 116.6° |
| O3 | C11 | N4 | C17 | 116.4° | 114.0° |
| O3 | C11 | N4 | H22 | 120.5° | 122.9° |
| O3 | C11 | N4 | C12 | 76.3° | 23.5° |
| O3 | C11 | C17 | H22 | 119.0° | 118.6° |
| O3 | C11 | C17 | O4 | 163.5° | 155.3° |
| O3 | C11 | C17 | C18 | 40.0° | 37.1° |
| C11 | O3 | C10 | C18 | 20.5° | 26.6° |
| O3 | C11 | N4 | C16 | 97.9° | 156.3° |
| C11 | O3 | C10 | H21 | 95.5° | 93.1° |
| O3 | C11 | C17 | H27 | 73.4° | 81.2° |
| C11 | N4 | C12 | C16 | 175.0° | 179.9° |
| C11 | N4 | C12 | N5 | 174.8° | 180.0° |
| C11 | N4 | C16 | N8 | 7.1° | 0.2° |
| N4 | C11 | C17 | H22 | 123.5° | 123.0° |
| N4 | C11 | C17 | O4 | 79.0° | 86.3° |
| N4 | C11 | C17 | C18 | 157.5° | 155.5° |
| C11 | N4 | C16 | C13 | 175.6° | 179.8° |
| C11 | N4 | C12 | H23 | 5.2° | 0.0° |
| N4 | C11 | C17 | H27 | 44.1° | 37.3° |
| N4 | C12 | N5 | H23 | 180.0° | 180.0° |
| N4 | C12 | N5 | C13 | 0.6° | 0.2° |
| C12 | N4 | C16 | N8 | 177.5° | 179.9° |
| C12 | N4 | C11 | C17 | 40.1° | 90.5° |
| C12 | N4 | C16 | C13 | 0.2° | 0.1° |
| C12 | N4 | C11 | H22 | 163.2° | 146.4° |
| C12 | N5 | C13 | C14 | 177.1° | 179.9° |
| N5 | C12 | N4 | C16 | 0.2° | 0.1° |
| C12 | N5 | C13 | C16 | 0.7° | 0.2° |
| N5 | C13 | C14 | C16 | 177.7° | 179.7° |
| N5 | C13 | C14 | N6 | 0.8° | 0.3° |
| N5 | C13 | C14 | N7 | 177.8° | 179.7° |
| N5 | C13 | C16 | N8 | 177.9° | 179.8° |
| N5 | C13 | C16 | N4 | 0.6° | 0.2° |
| C13 | N5 | C12 | H23 | 179.4° | 179.8° |
| C13 | C14 | N6 | N7 | 178.6° | 180.0° |
| C13 | C14 | N7 | C15 | 0.3° | 0.0° |
| C14 | C13 | C16 | N8 | 0.3° | 0.0° |
| C14 | C13 | C16 | N4 | 177.6° | 179.9° |
| C13 | C14 | N6 | H25 | 178.5° | 0.0° |
| C13 | C14 | N6 | H24 | 61.5° | 180.0° |
| N6 | C14 | N7 | C15 | 178.9° | 180.0° |
| N6 | C14 | C13 | C16 | 178.5° | 180.0° |
| C14 | N6 | H25 | H24 | 120.0° | 180.0° |
| C14 | N7 | C15 | N8 | 1.2° | 0.0° |
| N7 | C14 | C13 | C16 | 0.1° | 0.0° |
| N7 | C14 | N6 | H25 | 0.0° | 180.0° |
| N7 | C14 | N6 | H24 | 120.0° | 0.0° |
| C14 | N7 | C15 | H26 | 178.8° | 180.0° |
| N7 | C15 | N8 | H26 | 180.0° | 180.0° |
| N7 | C15 | N8 | C16 | 1.4° | 0.0° |
| C15 | N8 | C16 | N4 | 177.7° | 179.9° |
| C15 | N8 | C16 | C13 | 0.9° | 0.0° |
| N8 | C16 | N4 | C13 | 177.3° | 179.9° |
| C16 | N8 | C15 | H26 | 178.6° | 180.0° |
| C11 | C17 | O4 | C18 | 115.5° | 112.7° |
| C11 | C17 | O4 | H27 | 122.3° | 123.7° |
| C11 | C17 | C18 | H27 | 113.7° | 118.2° |
| C11 | C17 | C18 | O5 | 94.9° | 97.8° |
| C11 | C17 | C18 | C10 | 26.3° | 20.9° |
| C17 | C11 | N4 | C16 | 145.7° | 89.6° |
| C11 | C17 | O4 | H28 | 180.0° | 179.9° |
| C11 | C17 | C18 | H29 | 141.8° | 139.6° |
| O4 | C17 | C18 | H27 | 123.1° | 123.5° |
| O4 | C17 | C18 | O5 | 28.3° | 20.4° |
| O4 | C17 | C18 | C10 | 149.5° | 139.1° |
| O4 | C17 | C11 | H22 | 44.6° | 36.7° |
| O4 | C17 | C18 | H29 | 94.9° | 102.2° |
| C17 | C18 | O5 | C10 | 117.5° | 114.7° |
| C17 | C18 | O5 | H29 | 122.4° | 122.6° |
| C17 | C18 | C10 | H29 | 115.6° | 118.6° |
| C17 | C18 | C10 | H21 | 122.0° | 117.5° |
| C18 | C17 | C11 | H22 | 79.0° | 81.5° |
| C18 | C17 | O4 | H28 | 64.5° | 67.2° |
| C17 | C18 | O5 | H30 | 180.0° | 65.3° |
| O5 | C18 | C10 | H29 | 121.0° | 122.7° |
| O5 | C18 | C10 | H21 | 1.4° | 1.1° |
| O5 | C18 | C17 | H27 | 151.4° | 144.0° |
| C18 | C10 | C9 | H19 | 172.5° | 60.9° |
| C18 | C10 | C9 | H20 | 53.2° | 59.1° |
| C10 | C18 | C17 | H27 | 87.4° | 97.3° |
| C10 | C18 | O5 | H30 | 62.5° | 180.0° |
| C16 | N4 | C11 | H22 | 22.6° | 33.5° |
| C16 | N4 | C12 | H23 | 179.8° | 179.9° |
| H11 | C5 | C6 | H13 | 172.9° | 175.0° |
| H11 | C5 | C6 | H14 | 68.7° | 64.9° |
| H12 | C5 | C6 | H13 | 53.0° | 55.0° |
| H12 | C5 | C6 | H14 | 171.4° | 175.0° |
| H5 | C2 | C3 | H7 | 162.2° | 59.9° |
| H5 | C2 | C3 | H8 | 42.9° | NaN° |
| H5 | C2 | N1 | H31 | 72.4° | 63.9° |
| H6 | C2 | C3 | H7 | 79.5° | 180.0° |
| H6 | C2 | C3 | H8 | 161.3° | 59.9° |
| H6 | C2 | N1 | H31 | 169.3° | 176.0° |
| H15 | C7 | C6 | H13 | 57.2° | 65.7° |
| H15 | C7 | C6 | H14 | 61.1° | 174.3° |
| H15 | C7 | N3 | H16 | 60.7° | 179.9° |
| H15 | C7 | N3 | H17 | 179.3° | 56.1° |
| H9 | C4 | C3 | H7 | 58.1° | 180.0° |
| H9 | C4 | C3 | H8 | 177.3° | 59.9° |
| H10 | C4 | C3 | H7 | 59.6° | 59.9° |
| H10 | C4 | C3 | H8 | 59.6° | NaN° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N1 | H31 | 58.9° | 56.1° |
| H2 | C1 | N1 | H31 | 61.1° | 64.0° |
| H3 | C1 | N1 | H31 | 178.9° | 176.1° |
| H19 | C9 | C10 | H21 | 66.0° | 178.0° |
| H20 | C9 | C10 | H21 | 174.7° | 62.0° |
| H21 | C10 | C18 | H29 | 122.4° | 123.9° |
| H22 | C11 | C17 | H27 | 167.6° | 160.3° |
| H27 | C17 | O4 | H28 | 57.6° | 56.4° |
| H27 | C17 | C18 | H29 | 28.2° | 21.3° |
| H29 | C18 | O5 | H30 | 57.5° | 57.3° |
