PRD_002411
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.21Å | |
| C1 | O2 | sing | 1.35Å | 1.35Å | |
| O2 | C2 | sing | 1.45Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.22Å | |
| N2 | C8 | sing | 1.46Å | 1.45Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| N5 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| N5 | C21 | sing | 1.35Å | 1.34Å | Aromatic |
| C20 | C19 | doub | 1.35Å | 1.36Å | Aromatic |
| O5 | C22 | doub | 1.21Å | 1.25Å | |
| C21 | N4 | doub | 1.30Å | 1.33Å | Aromatic |
| C19 | N4 | sing | 1.34Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | C22 | sing | 1.51Å | 1.57Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 126.1° | 120.0° |
| O1 | C1 | N1 | 124.1° | 120.0° |
| C1 | O2 | C2 | 121.8° | 117.0° |
| O2 | C1 | N1 | 109.8° | 120.0° |
| O2 | C2 | C3 | 110.3° | 109.5° |
| O2 | C2 | C4 | 103.5° | 109.5° |
| O2 | C2 | C5 | 109.4° | 109.5° |
| C3 | C2 | C4 | 110.5° | 109.4° |
| C3 | C2 | C5 | 112.3° | 109.4° |
| C2 | C3 | H1 | 109.5° | 109.4° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C4 | C2 | C5 | 110.5° | 109.4° |
| C2 | C4 | H4 | 109.5° | 109.5° |
| C2 | C4 | H5 | 109.5° | 109.5° |
| C2 | C4 | H6 | 109.5° | 109.5° |
| C2 | C5 | H7 | 109.5° | 109.5° |
| C2 | C5 | H8 | 109.5° | 109.5° |
| C2 | C5 | H9 | 109.5° | 109.4° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H1 | C3 | H3 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.4° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H4 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.4° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| C6 | N1 | H10 | 119.7° | 120.0° |
| N1 | C6 | C7 | 108.2° | 109.4° |
| N1 | C6 | H11 | 109.8° | 109.4° |
| N1 | C6 | H12 | 109.8° | 109.5° |
| C6 | N1 | C1 | 120.7° | 120.0° |
| H10 | N1 | C1 | 119.6° | 120.0° |
| C7 | C6 | H11 | 109.8° | 109.5° |
| C7 | C6 | H12 | 109.8° | 109.5° |
| C6 | C7 | O3 | 120.4° | 120.0° |
| C6 | C7 | N2 | 117.0° | 120.0° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| O3 | C7 | N2 | 122.6° | 120.0° |
| C8 | N2 | H13 | 119.4° | 120.0° |
| N2 | C8 | C9 | 109.9° | 109.5° |
| N2 | C8 | C10 | 110.8° | 109.5° |
| N2 | C8 | H14 | 108.2° | 109.4° |
| C8 | N2 | C7 | 121.2° | 120.0° |
| H13 | N2 | C7 | 119.4° | 120.0° |
| C9 | C8 | C10 | 113.3° | 109.5° |
| C9 | C8 | H14 | 107.3° | 109.5° |
| C8 | C9 | O4 | 120.5° | 120.0° |
| C8 | C9 | N3 | 115.7° | 120.0° |
| C10 | C8 | H14 | 107.1° | 109.4° |
| C8 | C10 | C11 | 109.7° | 109.5° |
| C8 | C10 | H15 | 109.4° | 109.4° |
| C8 | C10 | H16 | 109.4° | 109.5° |
| O4 | C9 | N3 | 123.4° | 120.0° |
| C11 | C10 | H15 | 109.4° | 109.4° |
| C11 | C10 | H16 | 109.4° | 109.5° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C10 | C11 | C13 | 120.3° | 120.0° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| C12 | C11 | C13 | 118.4° | 120.0° |
| C11 | C12 | C14 | 120.7° | 120.0° |
| C11 | C12 | H17 | 119.6° | 120.0° |
| C11 | C13 | C15 | 120.7° | 120.0° |
| C11 | C13 | H18 | 119.6° | 120.0° |
| C14 | C12 | H17 | 119.7° | 120.0° |
| C12 | C14 | C16 | 120.3° | 120.0° |
| C12 | C14 | H19 | 119.9° | 120.0° |
| C15 | C13 | H18 | 119.6° | 120.0° |
| C13 | C15 | C16 | 120.3° | 120.0° |
| C13 | C15 | H20 | 119.9° | 120.0° |
| C16 | C14 | H19 | 119.8° | 120.0° |
| C14 | C16 | C15 | 119.6° | 120.0° |
| C14 | C16 | H21 | 120.2° | 120.0° |
| C16 | C15 | H20 | 119.8° | 120.0° |
| C15 | C16 | H21 | 120.2° | 120.0° |
| C20 | N5 | C21 | 107.1° | 107.2° |
| N5 | C20 | C19 | 106.6° | 106.8° |
| N5 | C20 | H27 | 126.7° | 126.6° |
| C20 | N5 | H29 | 126.5° | 126.4° |
| N5 | C21 | N4 | 111.8° | 108.7° |
| N5 | C21 | H28 | 124.1° | 125.6° |
| C21 | N5 | H29 | 126.4° | 126.4° |
| C20 | C19 | N4 | 109.3° | 108.0° |
| C20 | C19 | C18 | 130.3° | 126.0° |
| C19 | C20 | H27 | 126.7° | 126.6° |
| O5 | C22 | C17 | 115.8° | 120.0° |
| O5 | C22 | H30 | 122.1° | 120.0° |
| C21 | N4 | C19 | 105.1° | 109.3° |
| C21 | N4 | H26 | 127.4° | 125.4° |
| N4 | C21 | H28 | 124.1° | 125.7° |
| N4 | C19 | C18 | 120.4° | 126.0° |
| C19 | N4 | H26 | 127.4° | 125.3° |
| C19 | C18 | C17 | 114.8° | 109.5° |
| C19 | C18 | H24 | 108.1° | 109.5° |
| C19 | C18 | H25 | 108.1° | 109.5° |
| C22 | C17 | C18 | 108.7° | 109.5° |
| C22 | C17 | N3 | 111.4° | 109.5° |
| C22 | C17 | H23 | 107.6° | 109.4° |
| C17 | C22 | H30 | 122.1° | 120.0° |
| C18 | C17 | N3 | 112.3° | 109.5° |
| C18 | C17 | H23 | 107.9° | 109.5° |
| C17 | C18 | H24 | 108.1° | 109.5° |
| C17 | C18 | H25 | 108.1° | 109.5° |
| C17 | N3 | H22 | 118.9° | 120.0° |
| N3 | C17 | H23 | 108.8° | 109.4° |
| C17 | N3 | C9 | 122.3° | 120.0° |
| H22 | N3 | C9 | 118.8° | 120.0° |
| H24 | C18 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 177.2° | 179.7° |
| O1 | C1 | O2 | C2 | 6.8° | 0.0° |
| O1 | C1 | N1 | C6 | 3.6° | 0.0° |
| O1 | C1 | N1 | H10 | 176.4° | 179.9° |
| C1 | O2 | C2 | C3 | 64.2° | 60.0° |
| C1 | O2 | C2 | C4 | 177.6° | 180.0° |
| C1 | O2 | C2 | C5 | 59.8° | 60.0° |
| O2 | C1 | N1 | C6 | 179.1° | 179.7° |
| O2 | C1 | N1 | H10 | 0.9° | 0.3° |
| O2 | C2 | C3 | C4 | 113.8° | 120.0° |
| O2 | C2 | C3 | C5 | 122.3° | 120.0° |
| O2 | C2 | C4 | C5 | 117.1° | 120.0° |
| O2 | C2 | C3 | H1 | 180.0° | 60.0° |
| O2 | C2 | C3 | H2 | 60.0° | 180.0° |
| O2 | C2 | C3 | H3 | 60.0° | 60.0° |
| O2 | C2 | C4 | H4 | 180.0° | 60.0° |
| O2 | C2 | C4 | H5 | 60.0° | 180.0° |
| O2 | C2 | C4 | H6 | 60.0° | 60.0° |
| O2 | C2 | C5 | H7 | 180.0° | 59.9° |
| O2 | C2 | C5 | H8 | 60.0° | 180.0° |
| O2 | C2 | C5 | H9 | 60.0° | 60.0° |
| C2 | O2 | C1 | N1 | 176.0° | 179.7° |
| C3 | C2 | C4 | C5 | 124.9° | 119.9° |
| C2 | C3 | H1 | H2 | 120.0° | 120.1° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 61.9° | 180.0° |
| C3 | C2 | C4 | H5 | 178.1° | 60.0° |
| C3 | C2 | C4 | H6 | 58.1° | 60.1° |
| C3 | C2 | C5 | H7 | 57.2° | 60.1° |
| C3 | C2 | C5 | H8 | 62.9° | 60.0° |
| C3 | C2 | C5 | H9 | 177.1° | 180.0° |
| C4 | C2 | C3 | H1 | 66.2° | 60.0° |
| C4 | C2 | C3 | H2 | 53.9° | 60.0° |
| C4 | C2 | C3 | H3 | 173.8° | 180.0° |
| C2 | C4 | H4 | H5 | 120.0° | 120.0° |
| C2 | C4 | H4 | H6 | 120.0° | 120.0° |
| C2 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C2 | C5 | H7 | 66.6° | 180.0° |
| C4 | C2 | C5 | H8 | 173.3° | 59.9° |
| C4 | C2 | C5 | H9 | 53.3° | 60.1° |
| C5 | C2 | C3 | H1 | 57.6° | 180.0° |
| C5 | C2 | C3 | H2 | 177.7° | 59.9° |
| C5 | C2 | C3 | H3 | 62.4° | 60.1° |
| C5 | C2 | C4 | H4 | 62.9° | 60.0° |
| C5 | C2 | C4 | H5 | 57.1° | 59.9° |
| C5 | C2 | C4 | H6 | 177.1° | 180.0° |
| C2 | C5 | H7 | H8 | 120.0° | 120.1° |
| C2 | C5 | H7 | H9 | 120.0° | 119.9° |
| C2 | C5 | H8 | H9 | 120.0° | 120.0° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | H5 | H6 | 120.0° | 120.0° |
| H7 | C5 | H8 | H9 | 120.0° | 120.0° |
| C6 | N1 | H10 | C1 | 180.0° | 180.0° |
| N1 | C6 | C7 | H11 | 119.8° | 119.9° |
| N1 | C6 | C7 | H12 | 119.8° | 120.0° |
| N1 | C6 | H11 | H12 | 120.7° | 120.0° |
| N1 | C6 | C7 | O3 | 66.4° | 0.0° |
| N1 | C6 | C7 | N2 | 115.1° | 180.0° |
| H10 | N1 | C6 | C7 | 65.5° | 0.0° |
| H10 | N1 | C6 | H11 | 174.7° | 119.9° |
| H10 | N1 | C6 | H12 | 54.2° | 120.0° |
| C7 | C6 | H11 | H12 | 120.6° | 120.0° |
| C6 | C7 | O3 | N2 | 178.4° | 180.0° |
| C6 | C7 | N2 | C8 | 176.2° | 180.0° |
| C6 | C7 | N2 | H13 | 3.8° | 0.0° |
| C7 | C6 | N1 | C1 | 114.5° | 180.0° |
| H11 | C6 | C7 | O3 | 173.8° | 119.9° |
| H11 | C6 | N1 | C1 | 5.3° | 60.0° |
| H11 | C6 | C7 | N2 | 4.7° | 60.1° |
| H12 | C6 | C7 | O3 | 53.4° | 120.0° |
| H12 | C6 | N1 | C1 | 125.8° | 60.0° |
| H12 | C6 | C7 | N2 | 125.1° | 60.0° |
| O3 | C7 | N2 | C8 | 5.3° | 0.0° |
| O3 | C7 | N2 | H13 | 174.7° | 180.0° |
| C8 | N2 | H13 | C7 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 124.6° | 120.1° |
| N2 | C8 | C9 | H14 | 117.4° | 120.0° |
| N2 | C8 | C10 | H14 | 117.8° | 119.9° |
| N2 | C8 | C9 | O4 | 42.1° | 0.1° |
| N2 | C8 | C10 | C11 | 67.9° | 64.9° |
| N2 | C8 | C10 | H15 | 52.2° | 55.0° |
| N2 | C8 | C10 | H16 | 172.1° | 175.0° |
| N2 | C8 | C9 | N3 | 130.8° | 180.0° |
| H13 | N2 | C8 | C9 | 96.1° | 25.1° |
| H13 | N2 | C8 | C10 | 29.9° | 95.0° |
| H13 | N2 | C8 | H14 | 147.1° | 145.0° |
| C9 | C8 | C10 | H14 | 118.1° | 120.0° |
| C8 | C9 | O4 | N3 | 172.3° | 179.9° |
| C9 | C8 | C10 | C11 | 168.1° | 175.0° |
| C9 | C8 | C10 | H15 | 71.9° | 65.1° |
| C9 | C8 | C10 | H16 | 48.1° | 54.9° |
| C8 | C9 | N3 | C17 | 176.9° | 180.0° |
| C8 | C9 | N3 | H22 | 3.1° | 0.0° |
| C9 | C8 | N2 | C7 | 83.9° | 155.0° |
| C10 | C8 | C9 | O4 | 82.4° | 120.0° |
| C8 | C10 | C11 | H15 | 120.0° | 119.9° |
| C8 | C10 | C11 | H16 | 120.0° | 120.1° |
| C8 | C10 | H15 | H16 | 119.9° | 120.0° |
| C8 | C10 | C11 | C12 | 98.4° | 90.0° |
| C8 | C10 | C11 | C13 | 75.8° | 90.3° |
| C10 | C8 | N2 | C7 | 150.1° | 85.0° |
| C10 | C8 | C9 | N3 | 104.7° | 59.9° |
| H14 | C8 | C9 | O4 | 159.5° | 120.1° |
| H14 | C8 | C10 | C11 | 50.0° | 55.0° |
| H14 | C8 | C10 | H15 | 170.0° | 175.0° |
| H14 | C8 | C10 | H16 | 70.0° | 65.0° |
| H14 | C8 | N2 | C7 | 33.0° | 35.0° |
| H14 | C8 | C9 | N3 | 13.3° | 60.0° |
| O4 | C9 | N3 | C17 | 4.2° | 0.0° |
| O4 | C9 | N3 | H22 | 175.8° | 179.9° |
| C11 | C10 | H15 | H16 | 119.9° | 120.0° |
| C10 | C11 | C12 | C13 | 174.3° | 179.7° |
| C10 | C11 | C12 | C14 | 174.0° | 180.0° |
| C10 | C11 | C12 | H17 | 6.0° | 0.1° |
| C10 | C11 | C13 | C15 | 174.2° | 180.0° |
| C10 | C11 | C13 | H18 | 5.8° | 0.0° |
| H15 | C10 | C11 | C12 | 21.7° | 30.0° |
| H15 | C10 | C11 | C13 | 164.1° | 149.8° |
| H16 | C10 | C11 | C12 | 141.6° | 150.0° |
| H16 | C10 | C11 | C13 | 44.2° | 29.8° |
| C11 | C12 | C14 | H17 | 180.0° | 179.9° |
| C12 | C11 | C13 | C15 | 0.2° | 0.3° |
| C12 | C11 | C13 | H18 | 179.9° | 179.7° |
| C11 | C12 | C14 | C16 | 0.9° | 0.0° |
| C11 | C12 | C14 | H19 | 179.1° | 179.9° |
| C13 | C11 | C12 | C14 | 0.3° | 0.3° |
| C13 | C11 | C12 | H17 | 179.7° | 179.8° |
| C11 | C13 | C15 | H18 | 180.0° | 179.9° |
| C11 | C13 | C15 | C16 | 0.7° | 0.0° |
| C11 | C13 | C15 | H20 | 179.3° | 180.0° |
| C12 | C14 | C16 | H19 | 180.0° | 179.9° |
| C12 | C14 | C16 | C15 | 1.5° | 0.3° |
| C12 | C14 | C16 | H21 | 178.5° | 180.0° |
| H17 | C12 | C14 | C16 | 179.0° | 179.9° |
| H17 | C12 | C14 | H19 | 1.0° | 0.0° |
| C13 | C15 | C16 | C14 | 1.3° | 0.3° |
| C13 | C15 | C16 | H20 | 180.0° | 180.0° |
| C13 | C15 | C16 | H21 | 178.6° | 180.0° |
| H18 | C13 | C15 | C16 | 179.3° | 179.9° |
| H18 | C13 | C15 | H20 | 0.7° | 0.0° |
| C14 | C16 | C15 | H21 | 180.0° | 179.8° |
| C14 | C16 | C15 | H20 | 178.7° | 179.7° |
| H19 | C14 | C16 | C15 | 178.5° | 179.8° |
| H19 | C14 | C16 | H21 | 1.5° | 0.1° |
| H20 | C15 | C16 | H21 | 1.3° | 0.1° |
| C20 | N5 | C21 | H29 | 180.0° | 179.7° |
| N5 | C20 | C19 | H27 | 180.0° | 179.8° |
| C20 | N5 | C21 | N4 | 0.6° | 0.5° |
| N5 | C20 | C19 | N4 | 1.4° | 0.1° |
| N5 | C20 | C19 | C18 | 175.9° | 179.7° |
| C20 | N5 | C21 | H28 | 179.4° | 180.0° |
| C21 | N5 | C20 | C19 | 0.5° | 0.3° |
| N5 | C21 | N4 | H28 | 180.0° | 179.6° |
| N5 | C21 | N4 | C19 | 1.4° | 0.4° |
| N5 | C21 | N4 | H26 | 178.6° | 179.6° |
| C21 | N5 | C20 | H27 | 179.4° | 179.8° |
| C20 | C19 | N4 | C21 | 1.7° | 0.2° |
| C20 | C19 | N4 | C18 | 177.6° | 179.8° |
| C20 | C19 | C18 | C17 | 17.9° | 85.3° |
| C20 | C19 | C18 | H24 | 102.9° | 154.7° |
| C20 | C19 | C18 | H25 | 138.7° | 34.8° |
| C20 | C19 | N4 | H26 | 178.3° | 179.8° |
| C19 | C20 | N5 | H29 | 179.5° | 180.0° |
| O5 | C22 | C17 | H30 | 180.0° | 180.0° |
| O5 | C22 | C17 | C18 | 62.1° | 120.0° |
| O5 | C22 | C17 | N3 | 173.6° | 0.0° |
| O5 | C22 | C17 | H23 | 54.4° | 120.0° |
| C21 | N4 | C19 | H26 | 180.0° | 180.0° |
| C21 | N4 | C19 | C18 | 175.9° | 180.0° |
| N4 | C21 | N5 | H29 | 179.4° | 179.9° |
| N4 | C19 | C18 | C17 | 165.1° | 94.9° |
| N4 | C19 | C18 | H24 | 74.1° | 25.1° |
| N4 | C19 | C18 | H25 | 44.3° | 145.0° |
| N4 | C19 | C20 | H27 | 178.6° | 179.9° |
| C19 | N4 | C21 | H28 | 178.6° | 180.0° |
| C19 | C18 | C17 | C22 | 165.1° | 175.0° |
| C19 | C18 | C17 | H24 | 120.8° | 120.0° |
| C19 | C18 | C17 | H25 | 120.8° | 120.0° |
| C19 | C18 | C17 | N3 | 71.2° | 65.0° |
| C19 | C18 | C17 | H23 | 48.7° | 55.0° |
| C19 | C18 | H24 | H25 | 117.6° | 120.0° |
| C18 | C19 | N4 | H26 | 4.1° | 0.0° |
| C18 | C19 | C20 | H27 | 4.1° | 0.1° |
| C22 | C17 | C18 | N3 | 123.8° | 120.0° |
| C22 | C17 | C18 | H23 | 116.3° | 120.0° |
| C22 | C17 | N3 | H23 | 118.5° | 120.0° |
| C22 | C17 | N3 | H22 | 74.4° | 95.0° |
| C22 | C17 | C18 | H24 | 44.3° | 65.0° |
| C22 | C17 | C18 | H25 | 74.1° | 55.0° |
| C22 | C17 | N3 | C9 | 105.6° | 85.0° |
| C18 | C17 | N3 | H23 | 119.3° | 120.0° |
| C18 | C17 | N3 | H22 | 47.8° | 25.1° |
| C17 | C18 | H24 | H25 | 117.5° | 120.0° |
| C18 | C17 | C22 | H30 | 117.8° | 60.0° |
| C18 | C17 | N3 | C9 | 132.2° | 155.0° |
| C17 | N3 | H22 | C9 | 180.0° | 180.0° |
| N3 | C17 | C18 | H24 | 168.0° | 55.0° |
| N3 | C17 | C18 | H25 | 49.6° | 175.0° |
| N3 | C17 | C22 | H30 | 6.4° | 180.0° |
| H22 | N3 | C17 | H23 | 167.1° | 145.1° |
| H23 | C17 | C18 | H24 | 72.1° | 175.0° |
| H23 | C17 | C18 | H25 | 169.5° | 65.0° |
| H23 | C17 | C22 | H30 | 125.6° | 60.0° |
| H23 | C17 | N3 | C9 | 12.9° | 35.0° |
| H26 | N4 | C21 | H28 | 1.4° | 0.0° |
| H27 | C20 | N5 | H29 | 0.6° | 0.2° |
| H28 | C21 | N5 | H29 | 0.5° | 0.3° |
