UWM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C18 | trip | 1.13Å | 1.16Å | |
| C18 | C16 | sing | 1.47Å | 1.44Å | |
| C16 | C15 | sing | 1.54Å | 1.55Å | |
| C16 | C17 | sing | 1.54Å | 1.55Å | |
| C15 | C14 | sing | 1.54Å | 1.56Å | |
| C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | N5 | doub | 1.32Å | 1.37Å | Aromatic |
| C10 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C14 | sing | 1.54Å | 1.56Å | |
| C14 | C19 | sing | 1.53Å | 1.53Å | |
| C14 | N6 | sing | 1.46Å | 1.47Å | |
| N9 | C20 | trip | 1.14Å | 1.16Å | |
| N5 | N4 | sing | 1.40Å | 1.36Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.45Å | |
| C12 | N6 | sing | 1.35Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | N4 | sing | 1.37Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.46Å | 1.43Å | Aromatic |
| N4 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.48Å | 1.44Å | |
| C11 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C6 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C13 | doub | 1.31Å | 1.35Å | Aromatic |
| C8 | C5 | doub | 1.36Å | 1.38Å | Aromatic |
| N3 | C5 | sing | 1.34Å | 1.40Å | Aromatic |
| C5 | C3 | sing | 1.48Å | 1.44Å | |
| C3 | C4 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | N1 | sing | 1.35Å | 1.39Å | Aromatic |
| C2 | N2 | doub | 1.31Å | 1.36Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| N1 | C1 | sing | 1.46Å | 1.47Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C18 | C16 | 176.4° | 180.0° |
| C18 | C16 | C15 | 115.8° | 113.6° |
| C18 | C16 | C17 | 118.1° | 113.6° |
| C18 | C16 | H1 | 111.5° | 112.8° |
| C15 | C16 | C17 | 89.9° | 87.1° |
| C16 | C15 | C14 | 88.8° | 87.1° |
| C15 | C16 | H1 | 109.9° | 113.6° |
| C16 | C15 | H12 | 114.4° | 113.7° |
| C16 | C15 | H13 | 114.4° | 113.6° |
| C16 | C17 | C14 | 88.7° | 87.1° |
| C17 | C16 | H1 | 109.8° | 113.7° |
| C16 | C17 | H15 | 114.4° | 113.6° |
| C16 | C17 | H14 | 114.4° | 113.6° |
| C15 | C14 | C17 | 89.1° | 87.1° |
| C15 | C14 | C19 | 116.4° | 113.6° |
| C15 | C14 | N6 | 111.9° | 113.6° |
| C14 | C15 | H12 | 114.4° | 113.7° |
| C14 | C15 | H13 | 114.3° | 113.6° |
| C10 | C9 | N5 | 111.7° | 109.0° |
| C9 | C10 | C7 | 105.7° | 107.6° |
| C10 | C9 | H8 | 124.2° | 125.5° |
| C9 | C10 | H9 | 127.1° | 126.2° |
| C9 | N5 | N4 | 104.7° | 108.8° |
| N5 | C9 | H8 | 124.2° | 125.5° |
| C10 | C7 | N4 | 105.6° | 107.2° |
| C10 | C7 | C6 | 137.1° | 134.0° |
| C7 | C10 | H9 | 127.1° | 126.2° |
| C17 | C14 | C19 | 115.2° | 113.6° |
| C17 | C14 | N6 | 112.2° | 113.7° |
| C14 | C17 | H15 | 114.4° | 113.6° |
| C14 | C17 | H14 | 114.4° | 113.6° |
| C19 | C14 | N6 | 110.6° | 112.9° |
| C14 | C19 | C20 | 110.7° | 109.4° |
| C14 | C19 | H16 | 109.2° | 109.5° |
| C14 | C19 | H17 | 109.1° | 109.5° |
| C14 | N6 | C12 | 127.1° | 125.9° |
| C14 | N6 | N7 | 120.6° | 125.8° |
| N9 | C20 | C19 | 179.4° | 180.0° |
| N5 | N4 | C7 | 112.3° | 107.4° |
| N5 | N4 | C8 | 126.7° | 133.6° |
| C20 | C19 | H16 | 109.2° | 109.5° |
| C20 | C19 | H17 | 109.2° | 109.5° |
| N6 | C12 | C11 | 106.0° | 107.6° |
| C12 | N6 | N7 | 112.1° | 108.3° |
| N6 | C12 | H10 | 127.0° | 126.2° |
| C12 | C11 | C6 | 128.4° | 126.3° |
| C12 | C11 | C13 | 105.9° | 107.5° |
| C11 | C12 | H10 | 127.0° | 126.2° |
| N6 | N7 | C13 | 105.4° | 108.6° |
| N4 | C7 | C6 | 117.3° | 118.8° |
| C7 | N4 | C8 | 121.0° | 119.0° |
| C7 | C6 | C11 | 119.7° | 120.6° |
| C7 | C6 | N3 | 122.4° | 118.9° |
| N4 | C8 | C5 | 117.1° | 120.4° |
| N4 | C8 | H7 | 121.4° | 119.8° |
| C6 | C11 | C13 | 125.7° | 126.2° |
| C11 | C6 | N3 | 117.9° | 120.5° |
| C11 | C13 | N7 | 110.6° | 108.0° |
| C11 | C13 | H11 | 124.7° | 126.0° |
| C6 | N3 | C5 | 117.8° | 121.0° |
| N7 | C13 | H11 | 124.7° | 126.0° |
| C8 | C5 | N3 | 124.2° | 121.9° |
| C8 | C5 | C3 | 120.4° | 119.0° |
| C5 | C8 | H7 | 121.4° | 119.8° |
| N3 | C5 | C3 | 115.4° | 119.1° |
| C5 | C3 | C4 | 128.0° | 126.2° |
| C5 | C3 | C2 | 126.0° | 126.2° |
| C4 | C3 | C2 | 106.0° | 107.5° |
| C3 | C4 | N1 | 105.7° | 107.6° |
| C3 | C4 | H6 | 127.2° | 126.2° |
| C3 | C2 | N2 | 110.4° | 108.1° |
| C3 | C2 | H5 | 124.7° | 125.9° |
| C4 | N1 | N2 | 112.4° | 108.2° |
| C4 | N1 | C1 | 125.8° | 125.9° |
| N1 | C4 | H6 | 127.1° | 126.2° |
| C2 | N2 | N1 | 105.4° | 108.5° |
| N2 | C2 | H5 | 124.8° | 125.9° |
| N2 | N1 | C1 | 121.7° | 125.9° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H4 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.4° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 112.9° |
| H15 | C17 | H14 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C18 | C16 | C15 | 112.0° | 171.4° |
| N8 | C18 | C16 | C17 | 143.2° | 73.9° |
| N8 | C18 | C16 | H1 | 14.5° | 57.5° |
| C18 | C16 | C15 | C17 | 121.5° | 114.6° |
| C18 | C16 | C15 | H1 | 127.4° | 130.8° |
| C18 | C16 | C17 | H1 | 129.4° | 130.9° |
| C18 | C16 | C15 | C14 | 135.8° | 140.0° |
| C18 | C16 | C17 | C14 | 133.8° | 140.0° |
| C18 | C16 | C15 | H12 | 107.8° | 105.4° |
| C18 | C16 | C15 | H13 | 19.6° | 25.5° |
| C18 | C16 | C17 | H15 | 17.5° | 25.5° |
| C18 | C16 | C17 | H14 | 109.9° | 105.5° |
| C15 | C16 | C17 | H1 | 111.2° | 114.5° |
| C16 | C15 | C14 | H12 | 116.3° | 114.6° |
| C16 | C15 | C14 | H13 | 116.3° | 114.5° |
| C15 | C16 | C17 | C14 | 14.3° | 25.4° |
| C16 | C15 | C14 | C19 | 132.0° | 139.9° |
| C16 | C15 | C14 | N6 | 99.4° | 89.2° |
| C16 | C15 | H12 | H13 | 129.8° | 131.2° |
| C15 | C16 | C17 | H15 | 102.0° | 89.1° |
| C15 | C16 | C17 | H14 | 130.6° | 140.0° |
| C16 | C17 | C14 | H15 | 116.3° | 114.6° |
| C16 | C17 | C14 | H14 | 116.3° | 114.5° |
| C16 | C17 | C14 | C19 | 133.1° | 139.9° |
| C16 | C17 | C14 | N6 | 99.1° | 89.1° |
| C17 | C16 | C15 | H12 | 130.7° | 140.0° |
| C17 | C16 | C15 | H13 | 101.9° | 89.1° |
| C16 | C17 | H15 | H14 | 129.9° | 131.3° |
| C15 | C14 | C17 | C19 | 118.9° | 114.5° |
| C15 | C14 | C17 | N6 | 113.3° | 114.5° |
| C15 | C14 | C19 | N6 | 129.1° | 131.2° |
| C15 | C14 | C19 | C20 | 65.8° | 163.9° |
| C15 | C14 | N6 | C12 | 43.6° | 56.2° |
| C15 | C14 | N6 | N7 | 141.8° | 123.6° |
| C14 | C15 | C16 | H1 | 96.8° | 89.2° |
| C15 | C14 | C19 | H16 | 54.4° | 43.9° |
| C15 | C14 | C19 | H17 | 174.0° | 76.1° |
| C14 | C15 | H12 | H13 | 129.8° | 131.2° |
| C15 | C14 | C17 | H15 | 102.1° | 89.1° |
| C15 | C14 | C17 | H14 | 130.5° | 140.0° |
| C10 | C9 | N5 | H8 | 180.0° | 180.0° |
| C9 | C10 | C7 | H9 | 180.0° | 180.0° |
| C10 | C9 | N5 | N4 | 0.1° | 0.1° |
| C9 | C10 | C7 | N4 | 1.1° | 0.0° |
| C9 | C10 | C7 | C6 | 177.9° | 180.0° |
| N5 | C9 | C10 | C7 | 0.6° | 0.0° |
| C9 | N5 | N4 | C7 | 0.8° | 0.1° |
| C9 | N5 | N4 | C8 | 177.1° | 180.0° |
| N5 | C9 | C10 | H9 | 179.3° | 180.0° |
| C10 | C7 | N4 | N5 | 1.2° | 0.0° |
| C10 | C7 | N4 | C6 | 179.2° | 180.0° |
| C10 | C7 | N4 | C8 | 176.8° | 180.0° |
| C10 | C7 | C6 | C11 | 5.0° | 0.0° |
| C10 | C7 | C6 | N3 | 176.6° | 180.0° |
| C7 | C10 | C9 | H8 | 179.3° | 180.0° |
| C17 | C14 | C19 | N6 | 128.6° | 131.4° |
| C17 | C14 | C19 | C20 | 168.1° | 66.5° |
| C17 | C14 | N6 | C12 | 142.0° | 153.7° |
| C17 | C14 | N6 | N7 | 43.4° | 26.1° |
| C14 | C17 | C16 | H1 | 96.8° | 89.1° |
| C17 | C14 | C19 | H16 | 47.9° | 53.5° |
| C17 | C14 | C19 | H17 | 71.7° | 173.6° |
| C17 | C14 | C15 | H12 | 130.6° | 140.0° |
| C17 | C14 | C15 | H13 | 102.1° | 89.1° |
| C14 | C17 | H15 | H14 | 129.9° | 131.2° |
| C14 | C19 | C20 | N9 | 107.3° | 107.7° |
| C14 | C19 | C20 | H16 | 120.2° | 120.0° |
| C14 | C19 | C20 | H17 | 120.2° | 119.9° |
| C19 | C14 | N6 | C12 | 87.9° | 75.0° |
| C19 | C14 | N6 | N7 | 86.7° | 105.3° |
| C14 | C19 | H16 | H17 | 119.4° | 120.0° |
| C19 | C14 | C15 | H12 | 111.6° | 105.4° |
| C19 | C14 | C15 | H13 | 15.7° | 25.4° |
| C19 | C14 | C17 | H15 | 16.8° | 25.4° |
| C19 | C14 | C17 | H14 | 110.5° | 105.5° |
| N6 | C14 | C19 | C20 | 63.3° | 64.9° |
| C14 | N6 | C12 | N7 | 175.0° | 179.8° |
| C14 | N6 | C12 | C11 | 176.0° | 180.0° |
| C14 | N6 | N7 | C13 | 176.0° | 179.8° |
| N6 | C14 | C19 | H16 | 176.4° | 175.1° |
| N6 | C14 | C19 | H17 | 56.8° | 55.1° |
| C14 | N6 | C12 | H10 | 4.0° | 0.2° |
| N6 | C14 | C15 | H12 | 16.9° | 25.4° |
| N6 | C14 | C15 | H13 | 144.2° | 156.3° |
| N6 | C14 | C17 | H15 | 144.6° | 156.4° |
| N6 | C14 | C17 | H14 | 17.2° | 25.4° |
| N9 | C20 | C19 | H16 | 13.0° | 12.3° |
| N9 | C20 | C19 | H17 | 132.6° | 132.4° |
| N5 | N4 | C7 | C8 | 178.0° | 179.9° |
| N5 | N4 | C7 | C6 | 178.0° | 180.0° |
| N5 | N4 | C8 | C5 | 178.0° | 180.0° |
| N4 | N5 | C9 | H8 | 179.9° | 179.9° |
| N5 | N4 | C8 | H7 | 2.0° | 0.0° |
| C20 | C19 | H16 | H17 | 119.4° | 120.0° |
| N6 | C12 | C11 | H10 | 180.0° | 179.8° |
| N6 | C12 | C11 | C6 | 178.7° | 180.0° |
| N6 | C12 | C11 | C13 | 0.9° | 0.0° |
| C12 | N6 | N7 | C13 | 0.6° | 0.4° |
| C11 | C12 | N6 | N7 | 1.0° | 0.2° |
| C12 | C11 | C6 | C7 | 9.9° | 170.9° |
| C12 | C11 | C6 | C13 | 177.3° | 179.9° |
| C12 | C11 | C6 | N3 | 168.7° | 9.0° |
| C12 | C11 | C13 | N7 | 0.6° | 0.3° |
| C12 | C11 | C13 | H11 | 179.4° | 180.0° |
| N6 | N7 | C13 | C11 | 0.0° | 0.4° |
| N6 | N7 | C13 | H11 | 180.0° | 179.8° |
| N7 | N6 | C12 | H10 | 179.0° | 180.0° |
| N4 | C7 | C6 | C11 | 173.9° | 180.0° |
| N4 | C7 | C6 | N3 | 4.6° | 0.0° |
| C7 | N4 | C8 | C5 | 0.3° | 0.1° |
| C7 | N4 | C8 | H7 | 179.7° | 179.9° |
| N4 | C7 | C10 | H9 | 178.9° | 179.9° |
| C6 | C7 | N4 | C8 | 4.0° | 0.0° |
| C7 | C6 | C11 | N3 | 178.6° | 179.9° |
| C7 | C6 | C11 | C13 | 172.8° | 9.0° |
| C7 | C6 | N3 | C5 | 1.3° | 0.0° |
| C6 | C7 | C10 | H9 | 2.1° | 0.0° |
| N4 | C8 | C5 | H7 | 180.0° | 180.0° |
| N4 | C8 | C5 | N3 | 3.3° | 0.1° |
| N4 | C8 | C5 | C3 | 177.7° | 180.0° |
| C6 | C11 | C13 | N7 | 178.4° | 179.8° |
| C11 | C6 | N3 | C5 | 177.2° | 180.0° |
| C6 | C11 | C13 | H11 | 1.6° | 0.0° |
| C6 | C11 | C12 | H10 | 1.3° | 0.2° |
| C13 | C11 | C6 | N3 | 8.6° | 171.1° |
| C11 | C13 | N7 | H11 | 180.0° | 179.7° |
| C13 | C11 | C12 | H10 | 179.0° | 179.8° |
| C6 | N3 | C5 | C8 | 2.8° | 0.0° |
| C6 | N3 | C5 | C3 | 178.2° | 180.0° |
| C8 | C5 | N3 | C3 | 179.0° | 180.0° |
| C8 | C5 | C3 | C4 | 7.4° | 180.0° |
| C8 | C5 | C3 | C2 | 175.3° | 0.1° |
| N3 | C5 | C3 | C4 | 171.7° | 0.0° |
| N3 | C5 | C3 | C2 | 5.7° | 180.0° |
| N3 | C5 | C8 | H7 | 176.7° | 179.9° |
| C5 | C3 | C4 | C2 | 177.8° | 180.0° |
| C5 | C3 | C4 | N1 | 178.0° | 180.0° |
| C5 | C3 | C2 | N2 | 177.8° | 179.8° |
| C5 | C3 | C4 | H6 | 2.0° | 0.2° |
| C3 | C5 | C8 | H7 | 2.3° | 0.0° |
| C5 | C3 | C2 | H5 | 2.2° | 0.2° |
| C3 | C4 | N1 | H6 | 180.0° | 179.7° |
| C4 | C3 | C2 | N2 | 0.0° | 0.2° |
| C3 | C4 | N1 | N2 | 0.5° | 0.2° |
| C3 | C4 | N1 | C1 | 179.9° | 179.8° |
| C4 | C3 | C2 | H5 | 180.0° | 179.8° |
| C2 | C3 | C4 | N1 | 0.3° | 0.0° |
| C3 | C2 | N2 | H5 | 180.0° | 179.6° |
| C3 | C2 | N2 | N1 | 0.3° | 0.4° |
| C2 | C3 | C4 | H6 | 179.7° | 179.7° |
| C4 | N1 | N2 | C2 | 0.5° | 0.4° |
| C4 | N1 | N2 | C1 | 179.7° | 180.0° |
| C4 | N1 | C1 | H2 | 179.6° | 90.0° |
| C4 | N1 | C1 | H4 | 60.4° | 150.0° |
| C4 | N1 | C1 | H3 | 59.6° | 30.0° |
| C2 | N2 | N1 | C1 | 179.9° | 179.6° |
| N2 | N1 | C4 | H6 | 179.5° | 179.9° |
| N2 | N1 | C1 | H2 | 0.0° | 90.0° |
| N2 | N1 | C1 | H4 | 120.0° | 30.0° |
| N2 | N1 | C1 | H3 | 120.0° | 150.0° |
| N1 | N2 | C2 | H5 | 179.7° | 179.9° |
| C1 | N1 | C4 | H6 | 0.1° | 0.0° |
| N1 | C1 | H2 | H4 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.1° |
| N1 | C1 | H4 | H3 | 120.0° | 120.0° |
| H8 | C9 | C10 | H9 | 0.7° | 0.0° |
| H1 | C16 | C15 | H12 | 19.6° | 25.4° |
| H1 | C16 | C15 | H13 | 146.9° | 156.2° |
| H1 | C16 | C17 | H15 | 146.9° | 156.4° |
| H1 | C16 | C17 | H14 | 19.5° | 25.4° |
| H2 | C1 | H4 | H3 | 120.0° | 119.9° |
