PRD_000940
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.50Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| N2 | C14 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C12 | sing | 1.54Å | 1.51Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.55Å | 1.56Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C15 | sing | 1.47Å | 1.45Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C20 | sing | 1.51Å | 1.54Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | N4 | sing | 1.46Å | 1.46Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.37Å | 1.35Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C19 | N5 | sing | 1.33Å | 1.33Å | |
| C19 | N6 | doub | 1.33Å | 1.28Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| C20 | O3 | doub | 1.21Å | 1.25Å | |
| N7 | C21 | sing | 1.46Å | 1.47Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | C24 | sing | 1.51Å | 1.48Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | O4 | sing | 1.43Å | 1.42Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| O4 | H37 | sing | 0.97Å | 0.95Å | |
| C24 | O5 | doub | 1.21Å | 1.24Å | |
| N8 | H38 | sing | 0.97Å | 1.00Å | |
| N8 | H39 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.35Å | 1.35Å | |
| C11 | N3 | sing | 1.35Å | 1.33Å | |
| C20 | N7 | sing | 1.35Å | 1.34Å | |
| C24 | N8 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 104.8° | 109.5° |
| N1 | C1 | C3 | 110.4° | 109.4° |
| N1 | C1 | H3 | 109.8° | 109.4° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 112.6° | 109.5° |
| C2 | C1 | H3 | 109.7° | 109.5° |
| C1 | C2 | O1 | 120.7° | 120.0° |
| C1 | C2 | N2 | 118.7° | 120.0° |
| C3 | C1 | H3 | 109.5° | 109.5° |
| C1 | C3 | C4 | 111.9° | 109.5° |
| C1 | C3 | H4 | 108.8° | 109.4° |
| C1 | C3 | H5 | 108.8° | 109.5° |
| O1 | C2 | N2 | 120.6° | 120.0° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C4 | C3 | H5 | 108.9° | 109.5° |
| C3 | C4 | C5 | 121.4° | 120.0° |
| C3 | C4 | C6 | 119.2° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C5 | C4 | C6 | 119.3° | 120.0° |
| C4 | C5 | C7 | 121.8° | 120.0° |
| C4 | C5 | H6 | 119.1° | 120.1° |
| C4 | C6 | C8 | 118.4° | 120.0° |
| C4 | C6 | H7 | 120.8° | 120.1° |
| C7 | C5 | H6 | 119.1° | 120.0° |
| C5 | C7 | C9 | 119.9° | 120.0° |
| C5 | C7 | H8 | 120.1° | 120.0° |
| C8 | C6 | H7 | 120.8° | 120.0° |
| C6 | C8 | C9 | 121.8° | 120.0° |
| C6 | C8 | H9 | 119.1° | 120.0° |
| C9 | C7 | H8 | 120.1° | 120.0° |
| C7 | C9 | C8 | 118.8° | 120.0° |
| C7 | C9 | H10 | 120.6° | 120.0° |
| C9 | C8 | H9 | 119.1° | 120.0° |
| C8 | C9 | H10 | 120.6° | 120.0° |
| C10 | N2 | C14 | 112.8° | 108.7° |
| N2 | C10 | C11 | 111.9° | 109.9° |
| N2 | C10 | C12 | 103.4° | 107.3° |
| N2 | C10 | H11 | 111.0° | 109.9° |
| C10 | N2 | C2 | 118.7° | 125.7° |
| N2 | C14 | C13 | 101.6° | 104.7° |
| N2 | C14 | H16 | 111.4° | 110.4° |
| N2 | C14 | H17 | 111.4° | 110.4° |
| C14 | N2 | C2 | 128.5° | 125.6° |
| C11 | C10 | C12 | 110.1° | 109.8° |
| C11 | C10 | H11 | 110.2° | 109.9° |
| C10 | C11 | O2 | 121.2° | 120.0° |
| C10 | C11 | N3 | 115.1° | 120.0° |
| C12 | C10 | H11 | 110.1° | 110.0° |
| C10 | C12 | C13 | 105.4° | 102.9° |
| C10 | C12 | H12 | 110.5° | 110.8° |
| C10 | C12 | H13 | 110.5° | 110.7° |
| O2 | C11 | N3 | 123.7° | 120.0° |
| C13 | C12 | H12 | 110.5° | 110.7° |
| C13 | C12 | H13 | 110.5° | 110.7° |
| C12 | C13 | C14 | 101.4° | 101.5° |
| C12 | C13 | H14 | 111.5° | 111.0° |
| C12 | C13 | H15 | 111.4° | 111.0° |
| H12 | C12 | H13 | 109.5° | 110.8° |
| C14 | C13 | H14 | 111.4° | 111.2° |
| C14 | C13 | H15 | 111.4° | 110.9° |
| C13 | C14 | H16 | 111.4° | 110.5° |
| C13 | C14 | H17 | 111.4° | 110.4° |
| H14 | C13 | H15 | 109.5° | 111.0° |
| H16 | C14 | H17 | 109.5° | 110.4° |
| C15 | N3 | H18 | 118.6° | 120.0° |
| N3 | C15 | C16 | 112.1° | 109.5° |
| N3 | C15 | C20 | 110.4° | 109.4° |
| N3 | C15 | H19 | 107.5° | 109.5° |
| C15 | N3 | C11 | 122.9° | 120.0° |
| H18 | N3 | C11 | 118.6° | 120.0° |
| C16 | C15 | C20 | 113.3° | 109.5° |
| C16 | C15 | H19 | 106.8° | 109.4° |
| C15 | C16 | C17 | 116.2° | 109.5° |
| C15 | C16 | H20 | 107.8° | 109.5° |
| C15 | C16 | H21 | 107.8° | 109.5° |
| C20 | C15 | H19 | 106.4° | 109.5° |
| C15 | C20 | O3 | 120.5° | 120.0° |
| C15 | C20 | N7 | 115.9° | 120.0° |
| C17 | C16 | H20 | 107.8° | 109.5° |
| C17 | C16 | H21 | 107.8° | 109.5° |
| C16 | C17 | C18 | 112.8° | 109.5° |
| C16 | C17 | H22 | 108.6° | 109.4° |
| C16 | C17 | H23 | 108.6° | 109.5° |
| H20 | C16 | H21 | 109.4° | 109.4° |
| C18 | C17 | H22 | 108.6° | 109.5° |
| C18 | C17 | H23 | 108.6° | 109.5° |
| C17 | C18 | N4 | 109.5° | 109.4° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| N4 | C18 | H24 | 109.5° | 109.5° |
| N4 | C18 | H25 | 109.5° | 109.5° |
| C18 | N4 | C19 | 124.0° | 120.0° |
| C18 | N4 | H26 | 118.0° | 120.0° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| C19 | N4 | H26 | 118.0° | 120.0° |
| N4 | C19 | N5 | 120.0° | 120.0° |
| N4 | C19 | N6 | 119.9° | 120.0° |
| N5 | C19 | N6 | 120.1° | 120.0° |
| C19 | N5 | H27 | 120.0° | 120.0° |
| C19 | N5 | H28 | 120.0° | 120.0° |
| C19 | N6 | H29 | 120.0° | 119.9° |
| C19 | N6 | H30 | 120.0° | 120.0° |
| H27 | N5 | H28 | 120.0° | 120.0° |
| H29 | N6 | H30 | 120.0° | 120.0° |
| O3 | C20 | N7 | 123.6° | 120.0° |
| C21 | N7 | H31 | 119.3° | 120.0° |
| N7 | C21 | C22 | 108.1° | 109.5° |
| N7 | C21 | C24 | 110.6° | 109.5° |
| N7 | C21 | H32 | 110.0° | 109.5° |
| C21 | N7 | C20 | 121.3° | 120.0° |
| H31 | N7 | C20 | 119.3° | 120.0° |
| C22 | C21 | C24 | 109.4° | 109.5° |
| C22 | C21 | H32 | 108.8° | 109.5° |
| C21 | C22 | C23 | 113.9° | 109.5° |
| C21 | C22 | O4 | 107.3° | 109.5° |
| C21 | C22 | H33 | 108.6° | 109.5° |
| C24 | C21 | H32 | 109.8° | 109.5° |
| C21 | C24 | O5 | 126.4° | 120.0° |
| C21 | C24 | N8 | 115.2° | 120.0° |
| C23 | C22 | O4 | 107.1° | 109.5° |
| C23 | C22 | H33 | 109.3° | 109.5° |
| C22 | C23 | H34 | 109.5° | 109.5° |
| C22 | C23 | H35 | 109.5° | 109.5° |
| C22 | C23 | H36 | 109.5° | 109.4° |
| O4 | C22 | H33 | 110.6° | 109.5° |
| C22 | O4 | H37 | 109.5° | 114.0° |
| H34 | C23 | H35 | 109.4° | 109.5° |
| H34 | C23 | H36 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| O5 | C24 | N8 | 118.4° | 120.0° |
| H38 | N8 | H39 | 120.0° | 120.0° |
| H38 | N8 | C24 | 120.0° | 120.0° |
| H39 | N8 | C24 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 120.0° | 120.0° |
| N1 | C1 | C2 | H3 | 117.8° | 120.0° |
| N1 | C1 | C3 | H3 | 120.9° | 119.9° |
| N1 | C1 | C2 | O1 | 51.3° | 20.0° |
| N1 | C1 | C3 | C4 | 178.7° | 65.0° |
| N1 | C1 | C3 | H4 | 61.0° | 175.0° |
| N1 | C1 | C3 | H5 | 58.3° | 55.0° |
| N1 | C1 | C2 | N2 | 128.6° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 176.0° |
| H1 | N1 | C1 | C3 | 58.5° | 64.0° |
| H1 | N1 | C1 | H3 | 62.3° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 61.5° | 60.0° |
| H2 | N1 | C1 | H3 | 177.7° | 180.0° |
| C2 | C1 | C3 | H3 | 122.3° | 120.1° |
| C1 | C2 | O1 | N2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C4 | 64.6° | 175.0° |
| C2 | C1 | C3 | H4 | 55.8° | 55.0° |
| C2 | C1 | C3 | H5 | 175.1° | 65.0° |
| C1 | C2 | N2 | C10 | 179.7° | 180.0° |
| C1 | C2 | N2 | C14 | 0.2° | 0.3° |
| C3 | C1 | C2 | O1 | 68.7° | 99.9° |
| C1 | C3 | C4 | H4 | 120.3° | 120.0° |
| C1 | C3 | C4 | H5 | 120.4° | 120.0° |
| C1 | C3 | H4 | H5 | 118.9° | 120.0° |
| C1 | C3 | C4 | C5 | 112.5° | 90.0° |
| C1 | C3 | C4 | C6 | 68.0° | 90.3° |
| C3 | C1 | C2 | N2 | 111.3° | 80.0° |
| H3 | C1 | C2 | O1 | 169.1° | 140.0° |
| H3 | C1 | C3 | C4 | 57.7° | 55.0° |
| H3 | C1 | C3 | H4 | 178.1° | 65.1° |
| H3 | C1 | C3 | H5 | 62.7° | 175.0° |
| H3 | C1 | C2 | N2 | 10.8° | 40.0° |
| O1 | C2 | N2 | C10 | 0.3° | 0.0° |
| O1 | C2 | N2 | C14 | 179.7° | 179.7° |
| C4 | C3 | H4 | H5 | 118.9° | 120.0° |
| C3 | C4 | C5 | C6 | 179.4° | 179.7° |
| C3 | C4 | C5 | C7 | 179.5° | 180.0° |
| C3 | C4 | C5 | H6 | 0.4° | 0.0° |
| C3 | C4 | C6 | C8 | 179.6° | 180.0° |
| C3 | C4 | C6 | H7 | 0.4° | 0.0° |
| H4 | C3 | C4 | C5 | 7.8° | 30.0° |
| H4 | C3 | C4 | C6 | 171.6° | 149.7° |
| H5 | C3 | C4 | C5 | 127.1° | 150.0° |
| H5 | C3 | C4 | C6 | 52.3° | 29.7° |
| C4 | C5 | C7 | H6 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 1.0° | 0.3° |
| C5 | C4 | C6 | H7 | 179.1° | 179.7° |
| C4 | C5 | C7 | C9 | 0.5° | 0.0° |
| C4 | C5 | C7 | H8 | 179.5° | 179.9° |
| C6 | C4 | C5 | C7 | 0.1° | 0.3° |
| C6 | C4 | C5 | H6 | 179.9° | 179.7° |
| C4 | C6 | C8 | H7 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 1.2° | 0.0° |
| C4 | C6 | C8 | H9 | 178.8° | 180.0° |
| C5 | C7 | C9 | H8 | 180.0° | 180.0° |
| C5 | C7 | C9 | C8 | 0.2° | 0.2° |
| C5 | C7 | C9 | H10 | 179.8° | 180.0° |
| H6 | C5 | C7 | C9 | 179.5° | 180.0° |
| H6 | C5 | C7 | H8 | 0.5° | 0.0° |
| C6 | C8 | C9 | C7 | 0.7° | 0.2° |
| C6 | C8 | C9 | H9 | 180.0° | 180.0° |
| C6 | C8 | C9 | H10 | 179.3° | 180.0° |
| H7 | C6 | C8 | C9 | 178.8° | 180.0° |
| H7 | C6 | C8 | H9 | 1.2° | 0.0° |
| C7 | C9 | C8 | H10 | 180.0° | 179.8° |
| C7 | C9 | C8 | H9 | 179.4° | 179.7° |
| H8 | C7 | C9 | C8 | 179.8° | 179.8° |
| H8 | C7 | C9 | H10 | 0.2° | 0.0° |
| H9 | C8 | C9 | H10 | 0.7° | 0.1° |
| C10 | N2 | C14 | C2 | 179.4° | 179.7° |
| N2 | C10 | C11 | C12 | 114.4° | 117.8° |
| N2 | C10 | C11 | H11 | 124.0° | 121.0° |
| N2 | C10 | C12 | H11 | 118.6° | 119.5° |
| N2 | C10 | C11 | O2 | 34.0° | 0.1° |
| N2 | C10 | C12 | C13 | 26.8° | 22.2° |
| N2 | C10 | C12 | H12 | 92.5° | 140.5° |
| N2 | C10 | C12 | H13 | 146.2° | 96.1° |
| C10 | N2 | C14 | C13 | 20.2° | 24.5° |
| C10 | N2 | C14 | H16 | 139.0° | 94.5° |
| C10 | N2 | C14 | H17 | 98.5° | 143.3° |
| N2 | C10 | C11 | N3 | 148.5° | 180.0° |
| C14 | N2 | C10 | C11 | 122.0° | 120.7° |
| C14 | N2 | C10 | C12 | 3.5° | 1.3° |
| C14 | N2 | C10 | H11 | 114.5° | 118.3° |
| N2 | C14 | C13 | C12 | 35.1° | 37.3° |
| N2 | C14 | C13 | H16 | 118.7° | 118.8° |
| N2 | C14 | C13 | H17 | 118.7° | 118.8° |
| N2 | C14 | C13 | H14 | 153.8° | 80.8° |
| N2 | C14 | C13 | H15 | 83.6° | 155.2° |
| N2 | C14 | H16 | H17 | 123.7° | 122.3° |
| C11 | C10 | C12 | H11 | 121.7° | 121.1° |
| C10 | C11 | O2 | N3 | 177.3° | 180.0° |
| C11 | C10 | C12 | C13 | 146.5° | 97.2° |
| C11 | C10 | C12 | H12 | 27.1° | 21.1° |
| C11 | C10 | C12 | H13 | 94.2° | 144.5° |
| C10 | C11 | N3 | C15 | 177.6° | 180.0° |
| C10 | C11 | N3 | H18 | 2.3° | 0.0° |
| C11 | C10 | N2 | C2 | 57.5° | 59.6° |
| C12 | C10 | C11 | O2 | 80.4° | 117.9° |
| C10 | C12 | C13 | H12 | 119.4° | 118.4° |
| C10 | C12 | C13 | H13 | 119.3° | 118.4° |
| C10 | C12 | H12 | H13 | 121.9° | 123.3° |
| C10 | C12 | C13 | C14 | 38.9° | 35.7° |
| C10 | C12 | C13 | H14 | 157.5° | 82.6° |
| C10 | C12 | C13 | H15 | 79.8° | 153.5° |
| C12 | C10 | N2 | C2 | 176.0° | 179.0° |
| C12 | C10 | C11 | N3 | 97.2° | 62.2° |
| H11 | C10 | C11 | O2 | 158.0° | 121.0° |
| H11 | C10 | C12 | C13 | 91.8° | 141.7° |
| H11 | C10 | C12 | H12 | 148.9° | 100.0° |
| H11 | C10 | C12 | H13 | 27.5° | 23.4° |
| H11 | C10 | N2 | C2 | 66.0° | 61.4° |
| H11 | C10 | C11 | N3 | 24.5° | 59.0° |
| O2 | C11 | N3 | C15 | 0.2° | 0.0° |
| O2 | C11 | N3 | H18 | 179.8° | 180.0° |
| C13 | C12 | H12 | H13 | 121.9° | 123.2° |
| C12 | C13 | C14 | H14 | 118.7° | 118.1° |
| C12 | C13 | C14 | H15 | 118.7° | 117.9° |
| C12 | C13 | H14 | H15 | 123.7° | 123.9° |
| C12 | C13 | C14 | H16 | 153.8° | 81.5° |
| C12 | C13 | C14 | H17 | 83.6° | 156.1° |
| H12 | C12 | C13 | C14 | 80.5° | 154.1° |
| H12 | C12 | C13 | H14 | 38.2° | 35.8° |
| H12 | C12 | C13 | H15 | 160.8° | 88.1° |
| H13 | C12 | C13 | C14 | 158.2° | 82.7° |
| H13 | C12 | C13 | H14 | 83.1° | 159.0° |
| H13 | C12 | C13 | H15 | 39.5° | 35.1° |
| C14 | C13 | H14 | H15 | 123.7° | 123.9° |
| C13 | C14 | H16 | H17 | 123.7° | 122.4° |
| C13 | C14 | N2 | C2 | 160.3° | 155.8° |
| H14 | C13 | C14 | H16 | 87.5° | 160.4° |
| H14 | C13 | C14 | H17 | 35.1° | 38.0° |
| H15 | C13 | C14 | H16 | 35.1° | 36.4° |
| H15 | C13 | C14 | H17 | 157.7° | 86.0° |
| H16 | C14 | N2 | C2 | 41.6° | 85.3° |
| H17 | C14 | N2 | C2 | 81.0° | 37.0° |
| C15 | N3 | H18 | C11 | 180.0° | 180.0° |
| N3 | C15 | C16 | C20 | 125.8° | 120.0° |
| N3 | C15 | C16 | H19 | 117.4° | 120.0° |
| N3 | C15 | C20 | H19 | 116.3° | 120.0° |
| N3 | C15 | C16 | C17 | 158.0° | 65.0° |
| N3 | C15 | C16 | H20 | 81.0° | 175.0° |
| N3 | C15 | C16 | H21 | 37.0° | 55.0° |
| N3 | C15 | C20 | O3 | 123.8° | 0.0° |
| N3 | C15 | C20 | N7 | 57.8° | 180.0° |
| H18 | N3 | C15 | C16 | 97.6° | 25.0° |
| H18 | N3 | C15 | C20 | 135.0° | 95.0° |
| H18 | N3 | C15 | H19 | 19.4° | 144.9° |
| C16 | C15 | C20 | H19 | 117.0° | 120.0° |
| C15 | C16 | C17 | H20 | 121.0° | 120.0° |
| C15 | C16 | C17 | H21 | 121.0° | 120.0° |
| C15 | C16 | H20 | H21 | 117.0° | 120.0° |
| C15 | C16 | C17 | C18 | 137.0° | 180.0° |
| C15 | C16 | C17 | H22 | 16.5° | 60.0° |
| C15 | C16 | C17 | H23 | 102.5° | 60.0° |
| C16 | C15 | C20 | O3 | 2.9° | 120.0° |
| C16 | C15 | N3 | C11 | 82.4° | 155.0° |
| C16 | C15 | C20 | N7 | 175.5° | 60.0° |
| C20 | C15 | C16 | C17 | 76.2° | 175.0° |
| C20 | C15 | C16 | H20 | 44.8° | 55.0° |
| C20 | C15 | C16 | H21 | 162.8° | 65.0° |
| C15 | C20 | O3 | N7 | 178.3° | 180.0° |
| C15 | C20 | N7 | C21 | 180.0° | 180.0° |
| C15 | C20 | N7 | H31 | 0.0° | 0.0° |
| C20 | C15 | N3 | C11 | 44.9° | 85.0° |
| H19 | C15 | C16 | C17 | 40.6° | 55.0° |
| H19 | C15 | C16 | H20 | 161.6° | 65.0° |
| H19 | C15 | C16 | H21 | 80.4° | 175.0° |
| H19 | C15 | C20 | O3 | 119.9° | 120.0° |
| H19 | C15 | N3 | C11 | 160.6° | 35.0° |
| H19 | C15 | C20 | N7 | 58.5° | 60.0° |
| C17 | C16 | H20 | H21 | 116.9° | 120.0° |
| C16 | C17 | C18 | H22 | 120.5° | 120.0° |
| C16 | C17 | C18 | H23 | 120.5° | 120.0° |
| C16 | C17 | H22 | H23 | 118.5° | 120.0° |
| C16 | C17 | C18 | N4 | 70.5° | 180.0° |
| C16 | C17 | C18 | H24 | 49.5° | 60.0° |
| C16 | C17 | C18 | H25 | 169.5° | 60.0° |
| H20 | C16 | C17 | C18 | 102.0° | 60.0° |
| H20 | C16 | C17 | H22 | 137.5° | 180.0° |
| H20 | C16 | C17 | H23 | 18.5° | 60.1° |
| H21 | C16 | C17 | C18 | 16.0° | 60.0° |
| H21 | C16 | C17 | H22 | 104.5° | 60.0° |
| H21 | C16 | C17 | H23 | 136.5° | 180.0° |
| C18 | C17 | H22 | H23 | 118.5° | 120.0° |
| C17 | C18 | N4 | H24 | 120.0° | 120.0° |
| C17 | C18 | N4 | H25 | 120.0° | 120.0° |
| C17 | C18 | H24 | H25 | 120.0° | 120.0° |
| C17 | C18 | N4 | C19 | 163.6° | 180.0° |
| C17 | C18 | N4 | H26 | 16.4° | 0.0° |
| H22 | C17 | C18 | N4 | 169.0° | 60.0° |
| H22 | C17 | C18 | H24 | 71.0° | 180.0° |
| H22 | C17 | C18 | H25 | 49.0° | 60.0° |
| H23 | C17 | C18 | N4 | 50.0° | 60.0° |
| H23 | C17 | C18 | H24 | 170.0° | 60.0° |
| H23 | C17 | C18 | H25 | 70.0° | 180.0° |
| N4 | C18 | H24 | H25 | 120.0° | 120.0° |
| C18 | N4 | C19 | H26 | 180.0° | 180.0° |
| C18 | N4 | C19 | N5 | 11.3° | 0.0° |
| C18 | N4 | C19 | N6 | 170.4° | 180.0° |
| H24 | C18 | N4 | C19 | 76.4° | 59.9° |
| H24 | C18 | N4 | H26 | 103.6° | 120.0° |
| H25 | C18 | N4 | C19 | 43.6° | 60.0° |
| H25 | C18 | N4 | H26 | 136.4° | 120.0° |
| N4 | C19 | N5 | N6 | 178.3° | 180.0° |
| N4 | C19 | N5 | H27 | 178.3° | 0.0° |
| N4 | C19 | N5 | H28 | 1.7° | 180.0° |
| N4 | C19 | N6 | H29 | 178.3° | 180.0° |
| N4 | C19 | N6 | H30 | 1.7° | 0.0° |
| H26 | N4 | C19 | N5 | 168.7° | 180.0° |
| H26 | N4 | C19 | N6 | 9.6° | 0.0° |
| C19 | N5 | H27 | H28 | 180.0° | 179.9° |
| N5 | C19 | N6 | H29 | 0.0° | 0.0° |
| N5 | C19 | N6 | H30 | 180.0° | 180.0° |
| N6 | C19 | N5 | H27 | 0.0° | 179.9° |
| N6 | C19 | N5 | H28 | 180.0° | 0.0° |
| C19 | N6 | H29 | H30 | 180.0° | 180.0° |
| O3 | C20 | N7 | C21 | 1.6° | 0.0° |
| O3 | C20 | N7 | H31 | 178.3° | 180.0° |
| C21 | N7 | H31 | C20 | 180.0° | 180.0° |
| N7 | C21 | C22 | C24 | 120.5° | 120.0° |
| N7 | C21 | C22 | H32 | 119.5° | 120.0° |
| N7 | C21 | C24 | H32 | 121.7° | 120.0° |
| N7 | C21 | C22 | C23 | 69.4° | 60.3° |
| N7 | C21 | C22 | O4 | 172.3° | 59.7° |
| N7 | C21 | C22 | H33 | 52.7° | 179.7° |
| N7 | C21 | C24 | O5 | 26.5° | 20.2° |
| N7 | C21 | C24 | N8 | 152.5° | 159.8° |
| H31 | N7 | C21 | C22 | 1.2° | 95.0° |
| H31 | N7 | C21 | C24 | 118.6° | 25.0° |
| H31 | N7 | C21 | H32 | 119.8° | 145.0° |
| C22 | C21 | C24 | H32 | 119.4° | 120.0° |
| C21 | C22 | C23 | O4 | 118.5° | 120.0° |
| C21 | C22 | C23 | H33 | 121.7° | 120.0° |
| C21 | C22 | O4 | H33 | 118.3° | 120.0° |
| C21 | C22 | C23 | H34 | 180.0° | 54.0° |
| C21 | C22 | C23 | H35 | 60.0° | 174.0° |
| C21 | C22 | C23 | H36 | 60.0° | 66.0° |
| C21 | C22 | O4 | H37 | 180.0° | 59.9° |
| C22 | C21 | C24 | O5 | 92.5° | 99.8° |
| C22 | C21 | N7 | C20 | 178.9° | 85.0° |
| C22 | C21 | C24 | N8 | 88.6° | 80.2° |
| C24 | C21 | C22 | C23 | 51.1° | 179.7° |
| C24 | C21 | C22 | O4 | 67.2° | 60.3° |
| C24 | C21 | C22 | H33 | 173.2° | 59.7° |
| C21 | C24 | O5 | N8 | 179.0° | 180.0° |
| C21 | C24 | N8 | H38 | 179.1° | 4.9° |
| C21 | C24 | N8 | H39 | 1.0° | 175.0° |
| C24 | C21 | N7 | C20 | 61.3° | 155.0° |
| H32 | C21 | C22 | C23 | 171.2° | 59.7° |
| H32 | C21 | C22 | O4 | 52.8° | 179.7° |
| H32 | C21 | C22 | H33 | 66.8° | 60.3° |
| H32 | C21 | C24 | O5 | 148.2° | 140.2° |
| H32 | C21 | N7 | C20 | 60.2° | 35.0° |
| H32 | C21 | C24 | N8 | 30.8° | 39.7° |
| C23 | C22 | O4 | H33 | 119.0° | 120.0° |
| C22 | C23 | H34 | H35 | 120.0° | 120.0° |
| C22 | C23 | H34 | H36 | 120.0° | 119.9° |
| C22 | C23 | H35 | H36 | 120.0° | 119.9° |
| C23 | C22 | O4 | H37 | 57.3° | 180.0° |
| O4 | C22 | C23 | H34 | 61.5° | 174.0° |
| O4 | C22 | C23 | H35 | 58.4° | 66.0° |
| O4 | C22 | C23 | H36 | 178.5° | 54.0° |
| H33 | C22 | C23 | H34 | 58.3° | 66.0° |
| H33 | C22 | C23 | H35 | 178.3° | 54.0° |
| H33 | C22 | C23 | H36 | 61.7° | 174.0° |
| H33 | C22 | O4 | H37 | 61.7° | 60.0° |
| H34 | C23 | H35 | H36 | 120.0° | 120.0° |
| O5 | C24 | N8 | H38 | 0.0° | 175.1° |
| O5 | C24 | N8 | H39 | 180.0° | 5.0° |
| H38 | N8 | H39 | C24 | 180.0° | 179.9° |
