SDU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.38Å | 1.33Å | |
| C1 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| N3 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.32Å | Aromatic |
| C5 | N5 | sing | 1.36Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.46Å | 1.43Å | |
| C6 | O1 | sing | 1.44Å | 1.41Å | |
| O1 | C7 | sing | 1.44Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | N6 | sing | 1.47Å | 1.49Å | |
| N6 | C9 | sing | 1.47Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | N7 | sing | 1.47Å | 1.51Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | O2 | doub | 1.21Å | 1.24Å | |
| C12 | O3 | sing | 1.34Å | 1.26Å | |
| N6 | C13 | sing | 1.47Å | 1.37Å | |
| C13 | C14 | sing | 1.55Å | 1.51Å | |
| C14 | C15 | sing | 1.55Å | 1.51Å | |
| C15 | N8 | sing | 1.49Å | 1.46Å | |
| N8 | C16 | sing | 1.48Å | 1.45Å | |
| C7 | C17 | sing | 1.54Å | 1.54Å | |
| C17 | O4 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.54Å | 1.53Å | |
| C18 | O5 | sing | 1.43Å | 1.41Å | |
| C1 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | C18 | sing | 1.54Å | 1.53Å | |
| C3 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C16 | sing | 1.54Å | 1.51Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| N7 | H16 | sing | 1.01Å | 1.00Å | |
| N7 | H14 | sing | 1.01Å | 1.00Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| N8 | H22 | sing | 1.01Å | 1.00Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 119.4° | 120.7° |
| N1 | C1 | C4 | 123.8° | 120.8° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N2 | C2 | 119.1° | 121.2° |
| N2 | C1 | C4 | 116.9° | 118.5° |
| N2 | C2 | N3 | 128.9° | 122.5° |
| N2 | C2 | H3 | 115.5° | 118.7° |
| C2 | N3 | C3 | 110.6° | 120.6° |
| N3 | C2 | H3 | 115.5° | 118.8° |
| N3 | C3 | C4 | 127.1° | 119.1° |
| N3 | C3 | N5 | 126.6° | 134.9° |
| C3 | C4 | N4 | 110.2° | 107.1° |
| C3 | C4 | C1 | 117.2° | 118.2° |
| C4 | C3 | N5 | 106.0° | 106.0° |
| C4 | N4 | C5 | 105.7° | 109.5° |
| N4 | C4 | C1 | 132.6° | 134.7° |
| N4 | C5 | N5 | 111.8° | 110.0° |
| N4 | C5 | H4 | 124.1° | 125.1° |
| C5 | N5 | C6 | 128.0° | 126.3° |
| C5 | N5 | C3 | 106.3° | 107.4° |
| N5 | C5 | H4 | 124.1° | 124.9° |
| N5 | C6 | O1 | 108.3° | 110.4° |
| N5 | C6 | C18 | 113.9° | 110.4° |
| C6 | N5 | C3 | 125.4° | 126.3° |
| N5 | C6 | H5 | 110.0° | 110.4° |
| C6 | O1 | C7 | 107.7° | 105.3° |
| O1 | C6 | C18 | 105.5° | 104.8° |
| O1 | C6 | H5 | 110.3° | 110.4° |
| O1 | C7 | C8 | 109.3° | 110.4° |
| O1 | C7 | C17 | 106.7° | 104.8° |
| O1 | C7 | H6 | 109.0° | 110.5° |
| C7 | C8 | N6 | 116.3° | 109.5° |
| C8 | C7 | C17 | 115.9° | 110.4° |
| C8 | C7 | H6 | 107.9° | 110.3° |
| C7 | C8 | H7 | 107.7° | 109.4° |
| C7 | C8 | H8 | 107.7° | 109.4° |
| C8 | N6 | C9 | 104.8° | 111.0° |
| C8 | N6 | C13 | 120.2° | 111.0° |
| N6 | C8 | H7 | 107.7° | 109.5° |
| N6 | C8 | H8 | 107.8° | 109.5° |
| N6 | C9 | C10 | 117.5° | 109.5° |
| C9 | N6 | C13 | 104.9° | 111.0° |
| N6 | C9 | H9 | 107.4° | 109.4° |
| N6 | C9 | H10 | 107.4° | 109.5° |
| C9 | C10 | C11 | 117.6° | 109.5° |
| C10 | C9 | H9 | 107.4° | 109.4° |
| C10 | C9 | H10 | 107.4° | 109.5° |
| C9 | C10 | H11 | 107.4° | 109.4° |
| C9 | C10 | H12 | 107.4° | 109.4° |
| C10 | C11 | N7 | 115.8° | 109.5° |
| C10 | C11 | C12 | 115.2° | 109.5° |
| C11 | C10 | H11 | 107.4° | 109.5° |
| C11 | C10 | H12 | 107.4° | 109.5° |
| C10 | C11 | H13 | 104.9° | 109.5° |
| N7 | C11 | C12 | 109.3° | 109.5° |
| N7 | C11 | H13 | 105.3° | 109.5° |
| C11 | N7 | H16 | 109.5° | 111.0° |
| C11 | N7 | H14 | 109.5° | 111.0° |
| C11 | C12 | O2 | 116.6° | 120.0° |
| C11 | C12 | O3 | 116.2° | 120.0° |
| C12 | C11 | H13 | 105.2° | 109.4° |
| O2 | C12 | O3 | 127.1° | 120.0° |
| C12 | O3 | H30 | 109.5° | 117.0° |
| N6 | C13 | C14 | 123.2° | 110.3° |
| N6 | C13 | C16 | 110.1° | 110.3° |
| N6 | C13 | H17 | 108.4° | 110.3° |
| C13 | C14 | C15 | 98.4° | 102.9° |
| C14 | C13 | C16 | 100.8° | 105.2° |
| C14 | C13 | H17 | 106.6° | 110.3° |
| C13 | C14 | H19 | 112.2° | 110.7° |
| C13 | C14 | H18 | 112.2° | 110.7° |
| C14 | C15 | N8 | 106.5° | 103.3° |
| C14 | C15 | H20 | 110.2° | 110.4° |
| C14 | C15 | H21 | 110.2° | 110.9° |
| C15 | C14 | H19 | 112.2° | 110.7° |
| C15 | C14 | H18 | 112.1° | 110.8° |
| C15 | N8 | C16 | 103.8° | 105.7° |
| N8 | C15 | H20 | 110.2° | 110.7° |
| N8 | C15 | H21 | 110.2° | 110.6° |
| C15 | N8 | H22 | 110.8° | 111.0° |
| N8 | C16 | C13 | 108.5° | 107.2° |
| N8 | C16 | H24 | 109.7° | 110.0° |
| N8 | C16 | H23 | 109.7° | 109.9° |
| C16 | N8 | H22 | 110.9° | 111.3° |
| C7 | C17 | O4 | 111.9° | 110.5° |
| C7 | C17 | C18 | 103.5° | 104.1° |
| C7 | C17 | H25 | 109.1° | 110.6° |
| C17 | C7 | H6 | 107.9° | 110.3° |
| O4 | C17 | C18 | 112.2° | 110.5° |
| O4 | C17 | H25 | 110.7° | 110.4° |
| C17 | O4 | H26 | 109.5° | 114.0° |
| C17 | C18 | O5 | 116.0° | 110.5° |
| C17 | C18 | C6 | 101.1° | 104.1° |
| C18 | C17 | H25 | 109.2° | 110.5° |
| C17 | C18 | H27 | 107.2° | 110.5° |
| O5 | C18 | C6 | 115.8° | 110.5° |
| O5 | C18 | H27 | 108.7° | 110.6° |
| C18 | O5 | H28 | 109.5° | 114.0° |
| C18 | C6 | H5 | 108.7° | 110.4° |
| C6 | C18 | H27 | 107.3° | 110.5° |
| C13 | C16 | H24 | 109.7° | 109.9° |
| C13 | C16 | H23 | 109.7° | 109.9° |
| C16 | C13 | H17 | 106.5° | 110.3° |
| H24 | C16 | H23 | 109.5° | 109.9° |
| H20 | C15 | H21 | 109.5° | 110.7° |
| H19 | C14 | H18 | 109.5° | 110.8° |
| H2 | N1 | H1 | 109.5° | 120.0° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H16 | N7 | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C4 | 178.7° | 179.9° |
| N1 | C1 | N2 | C2 | 179.6° | 179.9° |
| N1 | C1 | C4 | C3 | 178.8° | 179.8° |
| N1 | C1 | C4 | N4 | 0.1° | 0.1° |
| C1 | N1 | H2 | H1 | 120.0° | 179.9° |
| C1 | N2 | C2 | N3 | 0.0° | 0.4° |
| N2 | C1 | C4 | C3 | 0.2° | 0.4° |
| N2 | C1 | C4 | N4 | 178.7° | 180.0° |
| C1 | N2 | C2 | H3 | 180.0° | 179.9° |
| N2 | C1 | N1 | H2 | 0.0° | 0.1° |
| N2 | C1 | N1 | H1 | 120.0° | 180.0° |
| N2 | C2 | N3 | H3 | 180.0° | 179.5° |
| N2 | C2 | N3 | C3 | 3.2° | 0.4° |
| C2 | N2 | C1 | C4 | 1.8° | 0.1° |
| C2 | N3 | C3 | C4 | 5.0° | 0.1° |
| C2 | N3 | C3 | N5 | 178.1° | 179.3° |
| N3 | C3 | C4 | N5 | 174.2° | 179.6° |
| N3 | C3 | C4 | N4 | 177.3° | 180.0° |
| N3 | C3 | N5 | C5 | 176.7° | 179.9° |
| N3 | C3 | N5 | C6 | 9.0° | 0.2° |
| N3 | C3 | C4 | C1 | 3.6° | 0.3° |
| C3 | N3 | C2 | H3 | 176.8° | 180.0° |
| C3 | C4 | N4 | C1 | 178.9° | 179.7° |
| C3 | C4 | N4 | C5 | 2.5° | 0.3° |
| C4 | C3 | N5 | C5 | 2.4° | 0.4° |
| C4 | C3 | N5 | C6 | 176.7° | 179.6° |
| C4 | N4 | C5 | N5 | 0.9° | 0.0° |
| N4 | C4 | C3 | N5 | 3.1° | 0.4° |
| C4 | N4 | C5 | H4 | 179.1° | 179.7° |
| N4 | C5 | N5 | H4 | 180.0° | 179.7° |
| N4 | C5 | N5 | C6 | 175.1° | 179.8° |
| C5 | N4 | C4 | C1 | 178.6° | 180.0° |
| N4 | C5 | N5 | C3 | 1.0° | 0.3° |
| C5 | N5 | C6 | C3 | 173.1° | 179.9° |
| C5 | N5 | C6 | O1 | 76.2° | 23.5° |
| C5 | N5 | C6 | C18 | 40.8° | 91.9° |
| C5 | N5 | C6 | H5 | 163.2° | 145.8° |
| N5 | C6 | O1 | C18 | 122.3° | 118.8° |
| N5 | C6 | O1 | H5 | 120.4° | 122.3° |
| N5 | C6 | O1 | C7 | 156.8° | 159.3° |
| N5 | C6 | C18 | C17 | 158.4° | 142.8° |
| N5 | C6 | C18 | O5 | 75.4° | 98.5° |
| N5 | C6 | C18 | H5 | 123.0° | 122.3° |
| C6 | N5 | C5 | H4 | 4.9° | 0.0° |
| N5 | C6 | C18 | H27 | 46.2° | 24.2° |
| C6 | O1 | C7 | C8 | 140.8° | 159.4° |
| C6 | O1 | C7 | C17 | 14.8° | 40.5° |
| O1 | C6 | C18 | C17 | 39.8° | 24.0° |
| O1 | C6 | C18 | O5 | 166.1° | 142.7° |
| O1 | C6 | C18 | H5 | 118.4° | 118.8° |
| O1 | C6 | N5 | C3 | 96.9° | 156.5° |
| C6 | O1 | C7 | H6 | 101.5° | 78.3° |
| O1 | C6 | C18 | H27 | 72.3° | 94.7° |
| O1 | C7 | C8 | C17 | 120.6° | 115.4° |
| O1 | C7 | C8 | H6 | 118.3° | 122.4° |
| O1 | C7 | C8 | N6 | 176.6° | 70.6° |
| O1 | C7 | C17 | H6 | 117.0° | 118.9° |
| O1 | C7 | C17 | O4 | 110.6° | 142.6° |
| O1 | C7 | C17 | C18 | 10.4° | 23.9° |
| C7 | O1 | C6 | C18 | 34.5° | 40.5° |
| O1 | C7 | C17 | H25 | 126.6° | 94.7° |
| C7 | O1 | C6 | H5 | 82.8° | 78.3° |
| O1 | C7 | C8 | H7 | 62.5° | 169.4° |
| O1 | C7 | C8 | H8 | 55.5° | 49.4° |
| C7 | C8 | N6 | H7 | 121.0° | 120.0° |
| C7 | C8 | N6 | H8 | 121.0° | 120.0° |
| C7 | C8 | N6 | C9 | 74.9° | 164.4° |
| C7 | C8 | N6 | C13 | 167.7° | 71.6° |
| C8 | C7 | C17 | H6 | 121.0° | 122.2° |
| C8 | C7 | C17 | O4 | 127.4° | 98.5° |
| C8 | C7 | C17 | C18 | 111.6° | 142.8° |
| C8 | C7 | C17 | H25 | 4.6° | 24.1° |
| C7 | C8 | H7 | H8 | 116.9° | 120.0° |
| C8 | N6 | C9 | C13 | 127.4° | 124.0° |
| C8 | N6 | C9 | C10 | 106.7° | 169.9° |
| C8 | N6 | C13 | C14 | 51.8° | 78.4° |
| N6 | C8 | C7 | C17 | 62.9° | 174.0° |
| C8 | N6 | C13 | C16 | 66.7° | 165.9° |
| C8 | N6 | C13 | H17 | 177.1° | 43.7° |
| N6 | C8 | C7 | H6 | 58.2° | 51.8° |
| N6 | C8 | H7 | H8 | 116.9° | 120.0° |
| C8 | N6 | C9 | H9 | 132.2° | 70.2° |
| C8 | N6 | C9 | H10 | 14.5° | 49.8° |
| N6 | C9 | C10 | H9 | 121.2° | 120.0° |
| N6 | C9 | C10 | H10 | 121.2° | 120.0° |
| N6 | C9 | C10 | C11 | 168.4° | 173.2° |
| C9 | N6 | C13 | C14 | 169.1° | 45.6° |
| C9 | N6 | C13 | C16 | 50.6° | 70.1° |
| C9 | N6 | C13 | H17 | 65.5° | 167.7° |
| C9 | N6 | C8 | H7 | 164.1° | 75.6° |
| C9 | N6 | C8 | H8 | 46.1° | 44.4° |
| N6 | C9 | H9 | H10 | 116.4° | 120.0° |
| N6 | C9 | C10 | H11 | 70.5° | 53.2° |
| N6 | C9 | C10 | H12 | 47.2° | 66.7° |
| C9 | C10 | C11 | H11 | 121.2° | 119.9° |
| C9 | C10 | C11 | H12 | 121.2° | 120.0° |
| C9 | C10 | C11 | N7 | 68.8° | 65.0° |
| C9 | C10 | C11 | C12 | 60.5° | 175.0° |
| C10 | C9 | N6 | C13 | 125.9° | 66.1° |
| C10 | C9 | H9 | H10 | 116.3° | 120.0° |
| C9 | C10 | H11 | H12 | 116.3° | 119.9° |
| C9 | C10 | C11 | H13 | 175.6° | 55.0° |
| C10 | C11 | N7 | C12 | 132.0° | 120.0° |
| C10 | C11 | N7 | H13 | 115.4° | 120.0° |
| C10 | C11 | C12 | H13 | 115.0° | 120.0° |
| C10 | C11 | C12 | O2 | 113.0° | 100.0° |
| C10 | C11 | C12 | O3 | 63.7° | 80.0° |
| C11 | C10 | C9 | H9 | 47.2° | 66.9° |
| C11 | C10 | C9 | H10 | 70.5° | 53.2° |
| C11 | C10 | H11 | H12 | 116.3° | 120.1° |
| C10 | C11 | N7 | H16 | 180.0° | 60.0° |
| C10 | C11 | N7 | H14 | 60.0° | 63.9° |
| N7 | C11 | C12 | H13 | 112.7° | 120.0° |
| N7 | C11 | C12 | O2 | 19.4° | 20.0° |
| N7 | C11 | C12 | O3 | 164.0° | 160.0° |
| N7 | C11 | C10 | H11 | 52.4° | 175.0° |
| N7 | C11 | C10 | H12 | 170.1° | 55.0° |
| C11 | N7 | H16 | H14 | 120.0° | 123.9° |
| C11 | C12 | O2 | O3 | 176.2° | 180.0° |
| C12 | C11 | C10 | H11 | 178.4° | 55.0° |
| C12 | C11 | C10 | H12 | 60.7° | 65.0° |
| C12 | C11 | N7 | H16 | 48.0° | 60.0° |
| C12 | C11 | N7 | H14 | 72.0° | 176.1° |
| C11 | C12 | O3 | H30 | 176.2° | 180.0° |
| O2 | C12 | C11 | H13 | 132.0° | 140.0° |
| O2 | C12 | O3 | H30 | 0.0° | 0.0° |
| O3 | C12 | C11 | H13 | 51.3° | 40.0° |
| N6 | C13 | C14 | C16 | 122.8° | 118.9° |
| N6 | C13 | C14 | H17 | 126.1° | 122.1° |
| N6 | C13 | C14 | C15 | 166.2° | 140.9° |
| N6 | C13 | C16 | N8 | 161.8° | 117.8° |
| N6 | C13 | C16 | H17 | 117.4° | 122.2° |
| N6 | C13 | C16 | H24 | 78.3° | 1.7° |
| N6 | C13 | C16 | H23 | 42.0° | 122.8° |
| N6 | C13 | C14 | H19 | 75.7° | 100.8° |
| N6 | C13 | C14 | H18 | 48.0° | 22.5° |
| C13 | N6 | C8 | H7 | 46.7° | 48.4° |
| C13 | N6 | C8 | H8 | 71.3° | 168.4° |
| C13 | N6 | C9 | H9 | 4.7° | 53.8° |
| C13 | N6 | C9 | H10 | 113.0° | 173.8° |
| C13 | C14 | C15 | H19 | 118.2° | 118.3° |
| C13 | C14 | C15 | H18 | 118.2° | 118.4° |
| C13 | C14 | C15 | N8 | 44.3° | 37.3° |
| C14 | C13 | C16 | N8 | 30.3° | 1.1° |
| C14 | C13 | C16 | H17 | 111.1° | 118.9° |
| C14 | C13 | C16 | H24 | 150.1° | 120.6° |
| C14 | C13 | C16 | H23 | 89.6° | 118.3° |
| C13 | C14 | C15 | H20 | 75.2° | 81.0° |
| C13 | C14 | C15 | H21 | 163.9° | 155.9° |
| C13 | C14 | H19 | H18 | 125.2° | 123.3° |
| C14 | C15 | N8 | H20 | 119.5° | 118.2° |
| C14 | C15 | N8 | H21 | 119.5° | 118.8° |
| C14 | C15 | N8 | C16 | 26.1° | 39.0° |
| C15 | C14 | C13 | C16 | 43.3° | 22.0° |
| C15 | C14 | C13 | H17 | 67.7° | 97.0° |
| C14 | C15 | H20 | H21 | 121.4° | 123.2° |
| C15 | C14 | H19 | H18 | 125.1° | 123.3° |
| C14 | C15 | N8 | H22 | 145.1° | 159.8° |
| C15 | N8 | C16 | H22 | 119.1° | 120.6° |
| C15 | N8 | C16 | C13 | 3.0° | 25.1° |
| C15 | N8 | C16 | H24 | 122.9° | 144.5° |
| C15 | N8 | C16 | H23 | 116.8° | 94.3° |
| N8 | C15 | H20 | H21 | 121.4° | 123.0° |
| N8 | C15 | C14 | H19 | 162.5° | 155.7° |
| N8 | C15 | C14 | H18 | 73.9° | 81.0° |
| N8 | C16 | C13 | H24 | 119.9° | 119.5° |
| N8 | C16 | C13 | H23 | 119.8° | 119.4° |
| N8 | C16 | H24 | H23 | 120.4° | 121.1° |
| N8 | C16 | C13 | H17 | 80.8° | 120.0° |
| C16 | N8 | C15 | H20 | 93.5° | 79.2° |
| C16 | N8 | C15 | H21 | 145.6° | 157.8° |
| C7 | C17 | O4 | C18 | 115.8° | 114.7° |
| C7 | C17 | O4 | H25 | 121.9° | 122.7° |
| C7 | C17 | C18 | H25 | 116.1° | 118.8° |
| C7 | C17 | C18 | O5 | 155.4° | 118.7° |
| C7 | C17 | C18 | C6 | 29.3° | 0.0° |
| C7 | C17 | C18 | H27 | 82.9° | 118.6° |
| C17 | C7 | C8 | H7 | 58.1° | 54.0° |
| C17 | C7 | C8 | H8 | 176.1° | 66.0° |
| C7 | C17 | O4 | H26 | 180.0° | 176.1° |
| O4 | C17 | C18 | H25 | 123.1° | 122.5° |
| O4 | C17 | C18 | O5 | 34.6° | 0.0° |
| O4 | C17 | C18 | C6 | 91.5° | 118.7° |
| O4 | C17 | C7 | H6 | 6.4° | 23.7° |
| O4 | C17 | C18 | H27 | 156.3° | 122.7° |
| C17 | C18 | O5 | C6 | 118.3° | 114.7° |
| C17 | C18 | O5 | H27 | 120.8° | 122.7° |
| C17 | C18 | C6 | H27 | 112.1° | 118.7° |
| C17 | C18 | C6 | H5 | 78.6° | 94.8° |
| C18 | C17 | C7 | H6 | 127.4° | 95.0° |
| C18 | C17 | O4 | H26 | 64.2° | 61.4° |
| C17 | C18 | O5 | H28 | 180.0° | 61.5° |
| O5 | C18 | C6 | H27 | 121.6° | 122.7° |
| O5 | C18 | C17 | H25 | 88.5° | 122.6° |
| O5 | C18 | C6 | H5 | 47.7° | 23.8° |
| C1 | C4 | C3 | N5 | 177.8° | 179.8° |
| C4 | C1 | N1 | H2 | 178.6° | 179.9° |
| C4 | C1 | N1 | H1 | 58.6° | 0.1° |
| C18 | C6 | N5 | C3 | 146.1° | 88.2° |
| C6 | C18 | C17 | H25 | 145.3° | 118.8° |
| C6 | C18 | O5 | H28 | 61.6° | 176.1° |
| C3 | N5 | C5 | H4 | 179.0° | 180.0° |
| C3 | N5 | C6 | H5 | 23.7° | 34.2° |
| C13 | C16 | H24 | H23 | 120.4° | 121.1° |
| C16 | C13 | C14 | H19 | 161.5° | 140.3° |
| C16 | C13 | C14 | H18 | 74.8° | 96.4° |
| C13 | C16 | N8 | H22 | 116.1° | 145.6° |
| H25 | C17 | C7 | H6 | 116.5° | 146.3° |
| H25 | C17 | C18 | H27 | 33.1° | 0.2° |
| H25 | C17 | O4 | H26 | 58.1° | 61.2° |
| H24 | C16 | C13 | H17 | 39.0° | 120.5° |
| H24 | C16 | N8 | H22 | 3.8° | 94.9° |
| H23 | C16 | C13 | H17 | 159.3° | 0.6° |
| H23 | C16 | N8 | H22 | 124.1° | 26.2° |
| H17 | C13 | C14 | H19 | 50.5° | 21.4° |
| H17 | C13 | C14 | H18 | 174.1° | 144.6° |
| H20 | C15 | C14 | H19 | 43.0° | 37.3° |
| H20 | C15 | C14 | H18 | 166.6° | 160.6° |
| H20 | C15 | N8 | H22 | 25.6° | 41.5° |
| H21 | C15 | C14 | H19 | 78.0° | 85.8° |
| H21 | C15 | C14 | H18 | 45.7° | 37.5° |
| H21 | C15 | N8 | H22 | 95.3° | 81.5° |
| H5 | C6 | C18 | H27 | 169.3° | 146.5° |
| H6 | C7 | C8 | H7 | 179.2° | 68.2° |
| H6 | C7 | C8 | H8 | 62.8° | 171.8° |
| H27 | C18 | O5 | H28 | 59.2° | 61.2° |
| H9 | C9 | C10 | H11 | 168.4° | 173.1° |
| H9 | C9 | C10 | H12 | 74.0° | 53.2° |
| H10 | C9 | C10 | H11 | 50.7° | 66.9° |
| H10 | C9 | C10 | H12 | 168.4° | 173.2° |
| H11 | C10 | C11 | H13 | 63.2° | 64.9° |
| H12 | C10 | C11 | H13 | 54.4° | 175.0° |
| H13 | C11 | N7 | H16 | 64.6° | 180.0° |
| H13 | C11 | N7 | H14 | 175.4° | 56.1° |
