PRD_002309
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | N2 | sing | 1.47Å | 1.45Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| N2 | H19 | sing | 1.01Å | 1.00Å | |
| N3 | C15 | sing | 1.46Å | 1.44Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | doub | 1.21Å | 1.18Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | N4 | sing | 1.47Å | 1.45Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N4 | H30 | sing | 1.01Å | 1.00Å | |
| N4 | H31 | sing | 1.01Å | 1.00Å | |
| N5 | C21 | sing | 1.47Å | 1.46Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C26 | sing | 1.51Å | 1.53Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | N6 | sing | 1.47Å | 1.45Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| N6 | C25 | sing | 1.37Å | 1.25Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C25 | N7 | sing | 1.33Å | 1.45Å | |
| C25 | N8 | doub | 1.33Å | 1.44Å | |
| N7 | H41 | sing | 0.97Å | 1.00Å | |
| N7 | H42 | sing | 0.97Å | 1.00Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| N8 | H44 | sing | 0.97Å | 1.00Å | |
| C26 | O4 | doub | 1.21Å | 1.26Å | |
| C26 | O5 | sing | 1.34Å | 1.26Å | |
| O5 | H45 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.45Å | |
| C10 | N3 | sing | 1.35Å | 1.45Å | |
| C16 | N5 | sing | 1.35Å | 1.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 121.6° | 120.0° |
| C1 | C2 | C3 | 114.1° | 109.5° |
| C1 | C2 | H1 | 108.3° | 109.6° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C2 | C1 | N1 | 116.7° | 120.0° |
| O1 | C1 | N1 | 121.6° | 120.0° |
| C3 | C2 | H1 | 108.3° | 109.4° |
| C3 | C2 | H2 | 108.3° | 109.4° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C2 | C3 | C8 | 119.8° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| C4 | C3 | C8 | 120.6° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | H3 | 120.2° | 120.0° |
| C3 | C8 | C7 | 119.7° | 120.0° |
| C3 | C8 | H7 | 120.1° | 120.1° |
| C5 | C4 | H3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H4 | 119.9° | 120.0° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C5 | C6 | H5 | 120.0° | 120.0° |
| C7 | C6 | H5 | 120.1° | 120.0° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C6 | C7 | H6 | 120.0° | 120.0° |
| C8 | C7 | H6 | 120.0° | 120.0° |
| C7 | C8 | H7 | 120.2° | 120.0° |
| C9 | N1 | H8 | 116.8° | 120.0° |
| N1 | C9 | C10 | 116.4° | 109.5° |
| N1 | C9 | C11 | 107.3° | 109.5° |
| N1 | C9 | H9 | 108.8° | 109.5° |
| C9 | N1 | C1 | 126.4° | 120.0° |
| H8 | N1 | C1 | 116.8° | 120.0° |
| C10 | C9 | C11 | 108.4° | 109.5° |
| C10 | C9 | H9 | 107.8° | 109.5° |
| C9 | C10 | O2 | 118.2° | 120.0° |
| C9 | C10 | N3 | 125.2° | 120.0° |
| C11 | C9 | H9 | 107.9° | 109.5° |
| C9 | C11 | C12 | 110.1° | 109.5° |
| C9 | C11 | H10 | 109.3° | 109.5° |
| C9 | C11 | H11 | 109.3° | 109.5° |
| O2 | C10 | N3 | 116.5° | 120.0° |
| C12 | C11 | H10 | 109.3° | 109.5° |
| C12 | C11 | H11 | 109.3° | 109.4° |
| C11 | C12 | C13 | 109.0° | 109.5° |
| C11 | C12 | H12 | 109.6° | 109.5° |
| C11 | C12 | H13 | 109.6° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| C13 | C12 | H12 | 109.6° | 109.5° |
| C13 | C12 | H13 | 109.6° | 109.5° |
| C12 | C13 | C14 | 109.4° | 109.5° |
| C12 | C13 | H14 | 109.5° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| C14 | C13 | H14 | 109.5° | 109.4° |
| C14 | C13 | H15 | 109.5° | 109.5° |
| C13 | C14 | N2 | 110.6° | 109.5° |
| C13 | C14 | H16 | 109.2° | 109.4° |
| C13 | C14 | H17 | 109.2° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| N2 | C14 | H16 | 109.2° | 109.4° |
| N2 | C14 | H17 | 109.2° | 109.5° |
| C14 | N2 | H18 | 109.5° | 111.0° |
| C14 | N2 | H19 | 109.5° | 111.0° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | N2 | H19 | 109.4° | 111.0° |
| C15 | N3 | H20 | 116.7° | 120.0° |
| N3 | C15 | C16 | 104.2° | 109.5° |
| N3 | C15 | C17 | 110.9° | 109.5° |
| N3 | C15 | H21 | 111.8° | 109.4° |
| C15 | N3 | C10 | 126.7° | 120.0° |
| H20 | N3 | C10 | 116.6° | 120.0° |
| C16 | C15 | C17 | 108.4° | 109.5° |
| C16 | C15 | H21 | 110.7° | 109.5° |
| C15 | C16 | O3 | 121.0° | 120.0° |
| C15 | C16 | N5 | 116.4° | 120.0° |
| C17 | C15 | H21 | 110.6° | 109.5° |
| C15 | C17 | C18 | 112.9° | 109.5° |
| C15 | C17 | H22 | 108.6° | 109.5° |
| C15 | C17 | H23 | 108.6° | 109.5° |
| O3 | C16 | N5 | 122.6° | 120.0° |
| C18 | C17 | H22 | 108.6° | 109.5° |
| C18 | C17 | H23 | 108.6° | 109.5° |
| C17 | C18 | C19 | 108.5° | 109.5° |
| C17 | C18 | H24 | 109.7° | 109.4° |
| C17 | C18 | H25 | 109.7° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| C19 | C18 | H24 | 109.7° | 109.5° |
| C19 | C18 | H25 | 109.7° | 109.5° |
| C18 | C19 | C20 | 110.9° | 109.5° |
| C18 | C19 | H26 | 109.1° | 109.5° |
| C18 | C19 | H27 | 109.1° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| C20 | C19 | H26 | 109.1° | 109.4° |
| C20 | C19 | H27 | 109.1° | 109.5° |
| C19 | C20 | N4 | 108.6° | 109.4° |
| C19 | C20 | H28 | 109.7° | 109.5° |
| C19 | C20 | H29 | 109.7° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| N4 | C20 | H28 | 109.7° | 109.5° |
| N4 | C20 | H29 | 109.7° | 109.5° |
| C20 | N4 | H30 | 109.5° | 110.9° |
| C20 | N4 | H31 | 109.5° | 111.0° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | N4 | H31 | 109.4° | 111.0° |
| C21 | N5 | H32 | 117.1° | 120.0° |
| N5 | C21 | C22 | 110.8° | 109.5° |
| N5 | C21 | C26 | 111.6° | 109.5° |
| N5 | C21 | H33 | 108.2° | 109.5° |
| C21 | N5 | C16 | 125.7° | 120.0° |
| H32 | N5 | C16 | 117.1° | 120.0° |
| C22 | C21 | C26 | 111.4° | 109.5° |
| C22 | C21 | H33 | 107.4° | 109.5° |
| C21 | C22 | C23 | 109.6° | 109.5° |
| C21 | C22 | H34 | 109.4° | 109.5° |
| C21 | C22 | H35 | 109.4° | 109.5° |
| C26 | C21 | H33 | 107.3° | 109.4° |
| C21 | C26 | O4 | 120.2° | 120.0° |
| C21 | C26 | O5 | 120.3° | 120.0° |
| C23 | C22 | H34 | 109.4° | 109.5° |
| C23 | C22 | H35 | 109.4° | 109.5° |
| C22 | C23 | C24 | 107.5° | 109.5° |
| C22 | C23 | H36 | 110.0° | 109.4° |
| C22 | C23 | H37 | 110.0° | 109.5° |
| H34 | C22 | H35 | 109.5° | 109.4° |
| C24 | C23 | H36 | 110.0° | 109.5° |
| C24 | C23 | H37 | 110.0° | 109.5° |
| C23 | C24 | N6 | 112.8° | 109.5° |
| C23 | C24 | H38 | 108.6° | 109.5° |
| C23 | C24 | H39 | 108.6° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| N6 | C24 | H38 | 108.6° | 109.5° |
| N6 | C24 | H39 | 108.6° | 109.5° |
| C24 | N6 | C25 | 118.1° | 120.0° |
| C24 | N6 | H40 | 120.9° | 120.0° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| C25 | N6 | H40 | 121.0° | 120.0° |
| N6 | C25 | N7 | 119.4° | 120.0° |
| N6 | C25 | N8 | 120.9° | 120.0° |
| N7 | C25 | N8 | 119.7° | 120.0° |
| C25 | N7 | H41 | 120.0° | 120.0° |
| C25 | N7 | H42 | 120.0° | 120.0° |
| C25 | N8 | H43 | 120.0° | 120.0° |
| C25 | N8 | H44 | 120.0° | 120.0° |
| H41 | N7 | H42 | 120.0° | 119.9° |
| H43 | N8 | H44 | 120.0° | 120.0° |
| O4 | C26 | O5 | 119.5° | 120.0° |
| C26 | O5 | H45 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N1 | 178.2° | 179.8° |
| C1 | C2 | C3 | H1 | 120.7° | 120.1° |
| C1 | C2 | C3 | H2 | 120.7° | 120.0° |
| C1 | C2 | H1 | H2 | 117.9° | 120.0° |
| C1 | C2 | C3 | C4 | 109.6° | 90.0° |
| C1 | C2 | C3 | C8 | 71.0° | 90.2° |
| C2 | C1 | N1 | C9 | 178.5° | 180.0° |
| C2 | C1 | N1 | H8 | 1.5° | 0.0° |
| O1 | C1 | C2 | C3 | 43.9° | 0.0° |
| O1 | C1 | C2 | H1 | 164.5° | 120.0° |
| O1 | C1 | C2 | H2 | 76.8° | 120.1° |
| O1 | C1 | N1 | C9 | 0.2° | 0.2° |
| O1 | C1 | N1 | H8 | 179.8° | 179.8° |
| C3 | C2 | H1 | H2 | 117.9° | 119.9° |
| C2 | C3 | C4 | C8 | 179.4° | 179.8° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C4 | H3 | 0.2° | 0.0° |
| C2 | C3 | C8 | C7 | 179.8° | 179.8° |
| C2 | C3 | C8 | H7 | 0.2° | 0.1° |
| C3 | C2 | C1 | N1 | 137.8° | 179.8° |
| H1 | C2 | C3 | C4 | 129.8° | 30.1° |
| H1 | C2 | C3 | C8 | 49.6° | 149.7° |
| H1 | C2 | C1 | N1 | 17.2° | 60.2° |
| H2 | C2 | C3 | C4 | 11.1° | 150.0° |
| H2 | C2 | C3 | C8 | 168.3° | 29.8° |
| H2 | C2 | C1 | N1 | 101.5° | 59.7° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 179.8° | 179.9° |
| C4 | C3 | C8 | C7 | 0.8° | 0.4° |
| C4 | C3 | C8 | H7 | 179.2° | 179.7° |
| C8 | C3 | C4 | C5 | 0.5° | 0.2° |
| C8 | C3 | C4 | H3 | 179.6° | 179.8° |
| C3 | C8 | C7 | C6 | 0.9° | 0.4° |
| C3 | C8 | C7 | H7 | 180.0° | 179.9° |
| C3 | C8 | C7 | H6 | 179.1° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H5 | 179.8° | 180.0° |
| H3 | C4 | C5 | C6 | 179.9° | 180.0° |
| H3 | C4 | C5 | H4 | 0.1° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.2° |
| C5 | C6 | C7 | H6 | 179.4° | 180.0° |
| H4 | C5 | C6 | C7 | 179.8° | 180.0° |
| H4 | C5 | C6 | H5 | 0.2° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | H7 | 179.1° | 179.8° |
| H5 | C6 | C7 | C8 | 179.4° | 179.8° |
| H5 | C6 | C7 | H6 | 0.6° | 0.0° |
| H6 | C7 | C8 | H7 | 0.9° | 0.1° |
| C9 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C9 | C10 | C11 | 121.0° | 120.0° |
| N1 | C9 | C10 | H9 | 122.5° | 120.0° |
| N1 | C9 | C11 | H9 | 117.1° | 120.0° |
| N1 | C9 | C10 | O2 | 127.0° | 0.0° |
| N1 | C9 | C11 | C12 | 62.3° | 65.0° |
| N1 | C9 | C11 | H10 | 177.6° | 175.0° |
| N1 | C9 | C11 | H11 | 57.8° | 55.0° |
| N1 | C9 | C10 | N3 | 57.1° | 180.0° |
| H8 | N1 | C9 | C10 | 124.7° | 25.0° |
| H8 | N1 | C9 | C11 | 113.7° | 95.0° |
| H8 | N1 | C9 | H9 | 2.8° | 145.0° |
| C10 | C9 | C11 | H9 | 116.4° | 120.0° |
| C9 | C10 | O2 | N3 | 176.2° | 180.0° |
| C10 | C9 | C11 | C12 | 171.2° | 175.0° |
| C10 | C9 | C11 | H10 | 51.1° | 55.0° |
| C10 | C9 | C11 | H11 | 68.7° | 65.0° |
| C9 | C10 | N3 | C15 | 2.9° | 180.0° |
| C9 | C10 | N3 | H20 | 177.0° | 0.0° |
| C10 | C9 | N1 | C1 | 55.3° | 155.0° |
| C11 | C9 | C10 | O2 | 6.0° | 120.0° |
| C9 | C11 | C12 | H10 | 120.1° | 120.0° |
| C9 | C11 | C12 | H11 | 120.1° | 120.0° |
| C9 | C11 | H10 | H11 | 119.7° | 120.0° |
| C9 | C11 | C12 | C13 | 113.7° | 180.0° |
| C9 | C11 | C12 | H12 | 126.4° | 60.0° |
| C9 | C11 | C12 | H13 | 6.2° | 60.0° |
| C11 | C9 | N1 | C1 | 66.3° | 85.0° |
| C11 | C9 | C10 | N3 | 178.1° | 60.0° |
| H9 | C9 | C10 | O2 | 110.5° | 120.0° |
| H9 | C9 | C11 | C12 | 54.8° | 55.0° |
| H9 | C9 | C11 | H10 | 65.4° | 65.0° |
| H9 | C9 | C11 | H11 | 174.9° | 175.0° |
| H9 | C9 | N1 | C1 | 177.2° | 35.0° |
| H9 | C9 | C10 | N3 | 65.4° | 60.0° |
| O2 | C10 | N3 | C15 | 178.9° | 0.0° |
| O2 | C10 | N3 | H20 | 1.1° | 180.0° |
| C12 | C11 | H10 | H11 | 119.7° | 119.9° |
| C11 | C12 | C13 | H12 | 119.9° | 120.0° |
| C11 | C12 | C13 | H13 | 119.9° | 120.0° |
| C11 | C12 | H12 | H13 | 120.2° | 119.9° |
| C11 | C12 | C13 | C14 | 144.4° | 179.9° |
| C11 | C12 | C13 | H14 | 24.4° | 60.0° |
| C11 | C12 | C13 | H15 | 95.7° | 60.0° |
| H10 | C11 | C12 | C13 | 6.4° | 60.0° |
| H10 | C11 | C12 | H12 | 113.5° | 180.0° |
| H10 | C11 | C12 | H13 | 126.4° | 60.0° |
| H11 | C11 | C12 | C13 | 126.2° | 60.0° |
| H11 | C11 | C12 | H12 | 6.3° | 60.0° |
| H11 | C11 | C12 | H13 | 113.8° | 180.0° |
| C13 | C12 | H12 | H13 | 120.3° | 120.0° |
| C12 | C13 | C14 | H14 | 120.0° | 120.0° |
| C12 | C13 | C14 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H15 | 120.1° | 120.0° |
| C12 | C13 | C14 | N2 | 158.6° | 180.0° |
| C12 | C13 | C14 | H16 | 38.4° | 60.0° |
| C12 | C13 | C14 | H17 | 81.3° | 60.0° |
| H12 | C12 | C13 | C14 | 95.7° | 60.0° |
| H12 | C12 | C13 | H14 | 144.3° | NaN° |
| H12 | C12 | C13 | H15 | 24.2° | 60.0° |
| H13 | C12 | C13 | C14 | 24.4° | 60.0° |
| H13 | C12 | C13 | H14 | 95.5° | 60.0° |
| H13 | C12 | C13 | H15 | 144.4° | 180.0° |
| C14 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | C14 | N2 | H16 | 120.2° | 119.9° |
| C13 | C14 | N2 | H17 | 120.2° | 120.1° |
| C13 | C14 | H16 | H17 | 119.5° | 120.0° |
| C13 | C14 | N2 | H18 | 180.0° | 56.0° |
| C13 | C14 | N2 | H19 | 60.0° | 180.0° |
| H14 | C13 | C14 | N2 | 81.4° | 60.0° |
| H14 | C13 | C14 | H16 | 158.4° | 180.0° |
| H14 | C13 | C14 | H17 | 38.8° | 60.0° |
| H15 | C13 | C14 | N2 | 38.6° | 60.0° |
| H15 | C13 | C14 | H16 | 81.6° | 60.0° |
| H15 | C13 | C14 | H17 | 158.8° | 180.0° |
| N2 | C14 | H16 | H17 | 119.5° | 120.0° |
| C14 | N2 | H18 | H19 | 120.0° | 124.0° |
| H16 | C14 | N2 | H18 | 59.9° | 64.0° |
| H16 | C14 | N2 | H19 | 179.8° | 60.0° |
| H17 | C14 | N2 | H18 | 59.8° | 176.0° |
| H17 | C14 | N2 | H19 | 60.1° | 60.0° |
| C15 | N3 | H20 | C10 | 180.0° | 180.0° |
| N3 | C15 | C16 | C17 | 118.2° | 120.0° |
| N3 | C15 | C16 | H21 | 120.4° | 120.0° |
| N3 | C15 | C17 | H21 | 124.7° | 120.0° |
| N3 | C15 | C16 | O3 | 143.5° | 0.0° |
| N3 | C15 | C17 | C18 | 31.7° | 65.0° |
| N3 | C15 | C17 | H22 | 152.3° | 175.0° |
| N3 | C15 | C17 | H23 | 88.8° | 55.0° |
| N3 | C15 | C16 | N5 | 34.7° | 180.0° |
| H20 | N3 | C15 | C16 | 49.8° | 25.0° |
| H20 | N3 | C15 | C17 | 66.7° | 95.0° |
| H20 | N3 | C15 | H21 | 169.4° | 145.0° |
| C16 | C15 | C17 | H21 | 121.5° | 120.0° |
| C15 | C16 | O3 | N5 | 178.1° | 180.0° |
| C16 | C15 | C17 | C18 | 145.5° | 175.0° |
| C16 | C15 | C17 | H22 | 93.9° | 55.0° |
| C16 | C15 | C17 | H23 | 25.0° | 65.0° |
| C15 | C16 | N5 | C21 | 179.6° | 180.0° |
| C15 | C16 | N5 | H32 | 0.4° | 0.0° |
| C16 | C15 | N3 | C10 | 130.3° | 155.0° |
| C17 | C15 | C16 | O3 | 98.3° | 120.0° |
| C15 | C17 | C18 | H22 | 120.5° | 120.0° |
| C15 | C17 | C18 | H23 | 120.5° | 120.0° |
| C15 | C17 | H22 | H23 | 118.4° | 120.0° |
| C15 | C17 | C18 | C19 | 156.9° | 180.0° |
| C15 | C17 | C18 | H24 | 83.2° | 60.0° |
| C15 | C17 | C18 | H25 | 37.0° | 60.0° |
| C17 | C15 | N3 | C10 | 113.3° | 85.0° |
| C17 | C15 | C16 | N5 | 83.5° | 60.0° |
| H21 | C15 | C16 | O3 | 23.1° | 119.9° |
| H21 | C15 | C17 | C18 | 92.9° | 55.0° |
| H21 | C15 | C17 | H22 | 27.6° | 65.0° |
| H21 | C15 | C17 | H23 | 146.6° | 175.0° |
| H21 | C15 | N3 | C10 | 10.7° | 35.0° |
| H21 | C15 | C16 | N5 | 155.1° | 60.0° |
| O3 | C16 | N5 | C21 | 1.4° | 0.1° |
| O3 | C16 | N5 | H32 | 178.6° | 180.0° |
| C18 | C17 | H22 | H23 | 118.4° | 120.0° |
| C17 | C18 | C19 | H24 | 119.9° | 120.0° |
| C17 | C18 | C19 | H25 | 119.9° | 120.0° |
| C17 | C18 | H24 | H25 | 120.4° | 120.0° |
| C17 | C18 | C19 | C20 | 163.9° | 180.0° |
| C17 | C18 | C19 | H26 | 75.9° | 60.0° |
| C17 | C18 | C19 | H27 | 43.7° | 60.0° |
| H22 | C17 | C18 | C19 | 36.4° | 60.0° |
| H22 | C17 | C18 | H24 | 156.2° | 180.0° |
| H22 | C17 | C18 | H25 | 83.5° | 60.0° |
| H23 | C17 | C18 | C19 | 82.6° | 60.0° |
| H23 | C17 | C18 | H24 | 37.3° | 60.0° |
| H23 | C17 | C18 | H25 | 157.6° | 180.0° |
| C19 | C18 | H24 | H25 | 120.4° | 120.0° |
| C18 | C19 | C20 | H26 | 120.2° | 120.0° |
| C18 | C19 | C20 | H27 | 120.2° | 120.0° |
| C18 | C19 | H26 | H27 | 119.4° | 120.0° |
| C18 | C19 | C20 | N4 | 159.2° | 180.0° |
| C18 | C19 | C20 | H28 | 81.0° | 60.1° |
| C18 | C19 | C20 | H29 | 39.3° | 60.0° |
| H24 | C18 | C19 | C20 | 44.0° | 60.0° |
| H24 | C18 | C19 | H26 | 164.2° | 180.0° |
| H24 | C18 | C19 | H27 | 76.2° | 60.0° |
| H25 | C18 | C19 | C20 | 76.3° | 60.0° |
| H25 | C18 | C19 | H26 | 43.9° | 60.0° |
| H25 | C18 | C19 | H27 | 163.5° | 180.0° |
| C20 | C19 | H26 | H27 | 119.4° | 120.0° |
| C19 | C20 | N4 | H28 | 119.9° | 120.0° |
| C19 | C20 | N4 | H29 | 119.9° | 120.0° |
| C19 | C20 | H28 | H29 | 120.4° | 120.0° |
| C19 | C20 | N4 | H30 | 180.0° | 180.0° |
| C19 | C20 | N4 | H31 | 60.0° | 56.1° |
| H26 | C19 | C20 | N4 | 39.0° | 60.0° |
| H26 | C19 | C20 | H28 | 158.8° | 180.0° |
| H26 | C19 | C20 | H29 | 80.9° | 60.0° |
| H27 | C19 | C20 | N4 | 80.6° | 60.0° |
| H27 | C19 | C20 | H28 | 39.2° | 60.0° |
| H27 | C19 | C20 | H29 | 159.5° | 180.0° |
| N4 | C20 | H28 | H29 | 120.4° | 120.0° |
| C20 | N4 | H30 | H31 | 120.0° | 123.9° |
| H28 | C20 | N4 | H30 | 60.1° | 60.0° |
| H28 | C20 | N4 | H31 | 179.9° | 176.1° |
| H29 | C20 | N4 | H30 | 60.1° | 60.0° |
| H29 | C20 | N4 | H31 | 59.9° | 63.9° |
| C21 | N5 | H32 | C16 | 180.0° | 180.0° |
| N5 | C21 | C22 | C26 | 124.8° | 120.0° |
| N5 | C21 | C22 | H33 | 118.0° | 120.0° |
| N5 | C21 | C26 | H33 | 118.4° | 119.9° |
| N5 | C21 | C22 | C23 | 64.4° | 65.0° |
| N5 | C21 | C22 | H34 | 175.6° | 174.9° |
| N5 | C21 | C22 | H35 | 55.7° | 55.0° |
| N5 | C21 | C26 | O4 | 179.1° | 0.0° |
| N5 | C21 | C26 | O5 | 0.5° | 180.0° |
| H32 | N5 | C21 | C22 | 117.8° | 25.0° |
| H32 | N5 | C21 | C26 | 117.5° | 95.0° |
| H32 | N5 | C21 | H33 | 0.3° | 145.1° |
| C22 | C21 | C26 | H33 | 117.2° | 120.0° |
| C21 | C22 | C23 | H34 | 120.0° | 120.0° |
| C21 | C22 | C23 | H35 | 120.0° | 120.0° |
| C21 | C22 | H34 | H35 | 119.9° | 120.0° |
| C21 | C22 | C23 | C24 | 175.8° | 180.0° |
| C21 | C22 | C23 | H36 | 56.2° | 60.0° |
| C21 | C22 | C23 | H37 | 64.5° | 60.0° |
| C22 | C21 | C26 | O4 | 56.5° | 120.0° |
| C22 | C21 | C26 | O5 | 124.8° | 60.0° |
| C22 | C21 | N5 | C16 | 62.2° | 155.0° |
| C26 | C21 | C22 | C23 | 170.8° | 175.0° |
| C26 | C21 | C22 | H34 | 50.8° | 54.9° |
| C26 | C21 | C22 | H35 | 69.1° | 65.0° |
| C21 | C26 | O4 | O5 | 178.7° | 180.0° |
| C21 | C26 | O5 | H45 | 178.7° | 180.0° |
| C26 | C21 | N5 | C16 | 62.4° | 85.0° |
| H33 | C21 | C22 | C23 | 53.7° | 55.0° |
| H33 | C21 | C22 | H34 | 66.4° | 65.0° |
| H33 | C21 | C22 | H35 | 173.7° | 175.0° |
| H33 | C21 | C26 | O4 | 60.7° | 120.0° |
| H33 | C21 | C26 | O5 | 117.9° | 60.0° |
| H33 | C21 | N5 | C16 | 179.7° | 35.0° |
| C23 | C22 | H34 | H35 | 119.9° | 120.0° |
| C22 | C23 | C24 | H36 | 119.7° | 120.0° |
| C22 | C23 | C24 | H37 | 119.7° | 120.0° |
| C22 | C23 | H36 | H37 | 120.9° | 120.0° |
| C22 | C23 | C24 | N6 | 122.9° | 180.0° |
| C22 | C23 | C24 | H38 | 116.6° | 60.0° |
| C22 | C23 | C24 | H39 | 2.4° | 60.0° |
| H34 | C22 | C23 | C24 | 64.1° | 60.0° |
| H34 | C22 | C23 | H36 | 176.2° | 180.0° |
| H34 | C22 | C23 | H37 | 55.6° | 60.1° |
| H35 | C22 | C23 | C24 | 55.8° | 60.0° |
| H35 | C22 | C23 | H36 | 63.8° | 60.0° |
| H35 | C22 | C23 | H37 | 175.5° | 180.0° |
| C24 | C23 | H36 | H37 | 121.0° | 120.0° |
| C23 | C24 | N6 | H38 | 120.5° | 120.0° |
| C23 | C24 | N6 | H39 | 120.5° | 120.0° |
| C23 | C24 | H38 | H39 | 118.5° | 120.0° |
| C23 | C24 | N6 | C25 | 149.6° | 180.0° |
| C23 | C24 | N6 | H40 | 30.4° | 0.0° |
| H36 | C23 | C24 | N6 | 3.3° | 60.0° |
| H36 | C23 | C24 | H38 | 123.8° | 180.0° |
| H36 | C23 | C24 | H39 | 117.2° | 60.0° |
| H37 | C23 | C24 | N6 | 117.4° | 60.0° |
| H37 | C23 | C24 | H38 | 3.1° | 60.0° |
| H37 | C23 | C24 | H39 | 122.1° | NaN° |
| N6 | C24 | H38 | H39 | 118.5° | 120.0° |
| C24 | N6 | C25 | H40 | 180.0° | 180.0° |
| C24 | N6 | C25 | N7 | 0.5° | 0.0° |
| C24 | N6 | C25 | N8 | 179.6° | 180.0° |
| H38 | C24 | N6 | C25 | 29.1° | 60.0° |
| H38 | C24 | N6 | H40 | 150.9° | 120.0° |
| H39 | C24 | N6 | C25 | 89.9° | 60.0° |
| H39 | C24 | N6 | H40 | 90.1° | 120.0° |
| N6 | C25 | N7 | N8 | 179.9° | 180.0° |
| N6 | C25 | N7 | H41 | 179.9° | 0.1° |
| N6 | C25 | N7 | H42 | 0.1° | 180.0° |
| N6 | C25 | N8 | H43 | 179.9° | 0.0° |
| N6 | C25 | N8 | H44 | 0.1° | 180.0° |
| H40 | N6 | C25 | N7 | 179.5° | 179.9° |
| H40 | N6 | C25 | N8 | 0.4° | 0.0° |
| C25 | N7 | H41 | H42 | 179.9° | 179.9° |
| N7 | C25 | N8 | H43 | 0.0° | 180.0° |
| N7 | C25 | N8 | H44 | 180.0° | 0.0° |
| N8 | C25 | N7 | H41 | 0.0° | 180.0° |
| N8 | C25 | N7 | H42 | 180.0° | 0.1° |
| C25 | N8 | H43 | H44 | 180.0° | 180.0° |
| O4 | C26 | O5 | H45 | 0.0° | 0.0° |
