PRD_000421
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.54Å | 1.51Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.27Å | |
| C5 | C6 | sing | 1.55Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.48Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.49Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N3 | C15 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | sing | 1.54Å | 1.52Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.27Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.55Å | 1.50Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C16 | sing | 1.46Å | 1.48Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.27Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C12 | N4 | sing | 1.35Å | 1.32Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 123.5° | 120.0° |
| O1 | C1 | N1 | 122.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 113.8° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | C7 | 111.4° | 108.7° |
| N1 | C3 | C4 | 105.4° | 109.8° |
| N1 | C3 | C5 | 105.0° | 107.3° |
| N1 | C3 | H4 | 110.1° | 109.9° |
| C3 | N1 | C1 | 118.2° | 125.7° |
| N1 | C7 | C6 | 104.6° | 104.7° |
| N1 | C7 | H9 | 110.7° | 110.4° |
| N1 | C7 | H10 | 110.7° | 110.4° |
| C7 | N1 | C1 | 130.3° | 125.6° |
| C4 | C3 | C5 | 117.1° | 109.9° |
| C4 | C3 | H4 | 109.5° | 109.9° |
| C3 | C4 | O2 | 121.9° | 120.0° |
| C3 | C4 | N2 | 113.2° | 120.0° |
| C5 | C3 | H4 | 109.4° | 110.0° |
| C3 | C5 | C6 | 105.1° | 103.0° |
| C3 | C5 | H5 | 110.6° | 110.7° |
| C3 | C5 | H6 | 110.6° | 110.7° |
| O2 | C4 | N2 | 124.9° | 120.0° |
| C6 | C5 | H5 | 110.6° | 110.7° |
| C6 | C5 | H6 | 110.5° | 110.8° |
| C5 | C6 | C7 | 105.9° | 101.5° |
| C5 | C6 | H7 | 110.4° | 111.0° |
| C5 | C6 | H8 | 110.4° | 111.0° |
| H5 | C5 | H6 | 109.5° | 110.8° |
| C7 | C6 | H7 | 110.4° | 111.2° |
| C7 | C6 | H8 | 110.3° | 110.9° |
| C6 | C7 | H9 | 110.7° | 110.5° |
| C6 | C7 | H10 | 110.6° | 110.3° |
| H7 | C6 | H8 | 109.4° | 110.9° |
| H9 | C7 | H10 | 109.5° | 110.4° |
| C8 | N2 | H11 | 119.9° | 120.0° |
| N2 | C8 | C9 | 107.4° | 109.4° |
| N2 | C8 | C10 | 113.9° | 109.5° |
| N2 | C8 | H12 | 108.4° | 109.5° |
| C8 | N2 | C4 | 120.2° | 120.0° |
| H11 | N2 | C4 | 119.9° | 120.0° |
| C9 | C8 | C10 | 111.0° | 109.5° |
| C9 | C8 | H12 | 107.7° | 109.4° |
| C8 | C9 | O3 | 120.6° | 120.0° |
| C8 | C9 | N3 | 113.3° | 120.0° |
| C10 | C8 | H12 | 108.2° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.4° |
| C8 | C10 | H14 | 109.4° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| O3 | C9 | N3 | 126.1° | 120.0° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| C11 | N3 | C15 | 113.4° | 108.7° |
| N3 | C11 | C12 | 109.0° | 109.9° |
| N3 | C11 | C13 | 105.6° | 107.3° |
| N3 | C11 | H16 | 111.4° | 109.9° |
| C11 | N3 | C9 | 121.1° | 125.7° |
| N3 | C15 | C14 | 104.4° | 104.7° |
| N3 | C15 | H21 | 110.7° | 110.3° |
| N3 | C15 | H22 | 110.7° | 110.4° |
| C15 | N3 | C9 | 125.5° | 125.6° |
| C12 | C11 | C13 | 109.6° | 109.9° |
| C12 | C11 | H16 | 110.6° | 109.9° |
| C11 | C12 | O4 | 117.0° | 120.0° |
| C11 | C12 | N4 | 116.7° | 120.0° |
| C13 | C11 | H16 | 110.4° | 110.0° |
| C11 | C13 | C14 | 106.2° | 103.0° |
| C11 | C13 | H17 | 110.3° | 110.7° |
| C11 | C13 | H18 | 110.3° | 110.7° |
| O4 | C12 | N4 | 126.3° | 120.0° |
| C14 | C13 | H17 | 110.3° | 110.7° |
| C14 | C13 | H18 | 110.3° | 110.7° |
| C13 | C14 | C15 | 109.5° | 101.5° |
| C13 | C14 | H19 | 109.5° | 111.0° |
| C13 | C14 | H20 | 109.4° | 111.0° |
| H17 | C13 | H18 | 109.5° | 110.8° |
| C15 | C14 | H19 | 109.5° | 111.2° |
| C15 | C14 | H20 | 109.4° | 110.9° |
| C14 | C15 | H21 | 110.7° | 110.5° |
| C14 | C15 | H22 | 110.7° | 110.3° |
| H19 | C14 | H20 | 109.5° | 111.0° |
| H21 | C15 | H22 | 109.4° | 110.5° |
| C16 | N4 | H23 | 119.6° | 120.0° |
| N4 | C16 | C17 | 109.3° | 109.5° |
| N4 | C16 | C18 | 110.2° | 109.5° |
| N4 | C16 | H24 | 108.0° | 109.5° |
| C16 | N4 | C12 | 120.8° | 120.0° |
| H23 | N4 | C12 | 119.6° | 120.0° |
| C17 | C16 | C18 | 114.4° | 109.5° |
| C17 | C16 | H24 | 107.2° | 109.5° |
| C16 | C17 | O5 | 119.0° | 119.9° |
| C16 | C17 | H25 | 120.5° | 120.0° |
| C18 | C16 | H24 | 107.5° | 109.5° |
| C16 | C18 | C19 | 114.8° | 109.5° |
| C16 | C18 | H26 | 108.1° | 109.4° |
| C16 | C18 | H27 | 108.1° | 109.5° |
| O5 | C17 | H25 | 120.5° | 120.0° |
| C19 | C18 | H26 | 108.1° | 109.5° |
| C19 | C18 | H27 | 108.1° | 109.5° |
| C18 | C19 | C20 | 118.7° | 120.0° |
| C18 | C19 | C21 | 120.4° | 120.0° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| C20 | C19 | C21 | 120.9° | 120.0° |
| C19 | C20 | C22 | 119.5° | 120.0° |
| C19 | C20 | H28 | 120.3° | 120.0° |
| C19 | C21 | C23 | 119.4° | 120.0° |
| C19 | C21 | H29 | 120.3° | 120.0° |
| C22 | C20 | H28 | 120.2° | 119.9° |
| C20 | C22 | C24 | 119.9° | 119.9° |
| C20 | C22 | H30 | 120.0° | 120.0° |
| C23 | C21 | H29 | 120.3° | 120.0° |
| C21 | C23 | C24 | 119.3° | 120.0° |
| C21 | C23 | H31 | 120.4° | 120.0° |
| C24 | C22 | H30 | 120.1° | 120.1° |
| C22 | C24 | C23 | 121.0° | 120.1° |
| C22 | C24 | H32 | 119.5° | 120.0° |
| C24 | C23 | H31 | 120.3° | 120.0° |
| C23 | C24 | H32 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.2° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 1.9° | 0.1° |
| O1 | C1 | N1 | C7 | 174.6° | 179.6° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 178.9° | 179.8° |
| C2 | C1 | N1 | C7 | 4.7° | 0.7° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 179.2° | 89.7° |
| H2 | C2 | C1 | N1 | 60.8° | 30.3° |
| H3 | C2 | C1 | N1 | 59.2° | 150.3° |
| C3 | N1 | C7 | C1 | 176.7° | 179.6° |
| N1 | C3 | C4 | C5 | 116.2° | 117.8° |
| N1 | C3 | C4 | H4 | 118.5° | 121.1° |
| N1 | C3 | C5 | H4 | 118.2° | 119.6° |
| N1 | C3 | C4 | O2 | 20.1° | 18.5° |
| N1 | C3 | C5 | C6 | 26.5° | 22.2° |
| N1 | C3 | C5 | H5 | 145.8° | 140.5° |
| N1 | C3 | C5 | H6 | 92.8° | 96.3° |
| C3 | N1 | C7 | C6 | 2.5° | 24.5° |
| C3 | N1 | C7 | H9 | 116.8° | 94.5° |
| C3 | N1 | C7 | H10 | 121.7° | 143.2° |
| N1 | C3 | C4 | N2 | 157.7° | 161.4° |
| C7 | N1 | C3 | C4 | 109.2° | 120.7° |
| C7 | N1 | C3 | C5 | 15.0° | 1.4° |
| C7 | N1 | C3 | H4 | 132.8° | 118.3° |
| N1 | C7 | C6 | C5 | 19.1° | 37.3° |
| N1 | C7 | C6 | H9 | 119.2° | 118.9° |
| N1 | C7 | C6 | H10 | 119.2° | 118.8° |
| N1 | C7 | C6 | H7 | 100.3° | 80.8° |
| N1 | C7 | C6 | H8 | 138.6° | 155.3° |
| N1 | C7 | H9 | H10 | 122.3° | 122.3° |
| C4 | C3 | C5 | H4 | 125.4° | 121.1° |
| C3 | C4 | O2 | N2 | 177.5° | 180.0° |
| C4 | C3 | C5 | C6 | 89.9° | 97.2° |
| C4 | C3 | C5 | H5 | 29.4° | 21.1° |
| C4 | C3 | C5 | H6 | 150.8° | 144.4° |
| C3 | C4 | N2 | C8 | 179.3° | 180.0° |
| C3 | C4 | N2 | H11 | 0.7° | 0.1° |
| C4 | C3 | N1 | C1 | 73.7° | 59.6° |
| C5 | C3 | C4 | O2 | 96.1° | 99.2° |
| C3 | C5 | C6 | H5 | 119.3° | 118.4° |
| C3 | C5 | C6 | H6 | 119.3° | 118.4° |
| C3 | C5 | H5 | H6 | 122.1° | 123.2° |
| C3 | C5 | C6 | C7 | 28.4° | 35.7° |
| C3 | C5 | C6 | H7 | 91.1° | 82.6° |
| C3 | C5 | C6 | H8 | 147.8° | 153.6° |
| C5 | C3 | N1 | C1 | 162.1° | 179.0° |
| C5 | C3 | C4 | N2 | 86.1° | 80.8° |
| H4 | C3 | C4 | O2 | 138.6° | 139.6° |
| H4 | C3 | C5 | C6 | 144.7° | 141.7° |
| H4 | C3 | C5 | H5 | 96.0° | 99.9° |
| H4 | C3 | C5 | H6 | 25.4° | 23.3° |
| H4 | C3 | N1 | C1 | 44.4° | 61.4° |
| H4 | C3 | C4 | N2 | 39.2° | 40.4° |
| O2 | C4 | N2 | C8 | 3.0° | 0.0° |
| O2 | C4 | N2 | H11 | 177.0° | 180.0° |
| C6 | C5 | H5 | H6 | 122.0° | 123.2° |
| C5 | C6 | C7 | H7 | 119.5° | 118.1° |
| C5 | C6 | C7 | H8 | 119.5° | 118.0° |
| C5 | C6 | H7 | H8 | 121.7° | 123.9° |
| C5 | C6 | C7 | H9 | 100.1° | 81.6° |
| C5 | C6 | C7 | H10 | 138.4° | 156.1° |
| H5 | C5 | C6 | C7 | 147.7° | 154.0° |
| H5 | C5 | C6 | H7 | 28.3° | 35.8° |
| H5 | C5 | C6 | H8 | 92.9° | 88.1° |
| H6 | C5 | C6 | C7 | 90.9° | 82.7° |
| H6 | C5 | C6 | H7 | 149.6° | 159.0° |
| H6 | C5 | C6 | H8 | 28.5° | 35.2° |
| C7 | C6 | H7 | H8 | 121.6° | 123.9° |
| C6 | C7 | H9 | H10 | 122.2° | 122.3° |
| C6 | C7 | N1 | C1 | 179.1° | 155.8° |
| H7 | C6 | C7 | H9 | 140.4° | 160.3° |
| H7 | C6 | C7 | H10 | 18.9° | 38.0° |
| H8 | C6 | C7 | H9 | 19.3° | 36.4° |
| H8 | C6 | C7 | H10 | 102.2° | 85.9° |
| H9 | C7 | N1 | C1 | 59.9° | 85.2° |
| H10 | C7 | N1 | C1 | 61.6° | 37.1° |
| C8 | N2 | H11 | C4 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 125.1° | 120.0° |
| N2 | C8 | C9 | H12 | 116.6° | 120.0° |
| N2 | C8 | C10 | H12 | 120.6° | 120.0° |
| N2 | C8 | C9 | O3 | 24.0° | 25.3° |
| N2 | C8 | C10 | H13 | 180.0° | 65.0° |
| N2 | C8 | C10 | H14 | 60.0° | 175.1° |
| N2 | C8 | C10 | H15 | 60.0° | 55.1° |
| N2 | C8 | C9 | N3 | 155.9° | 154.7° |
| H11 | N2 | C8 | C9 | 34.3° | 25.0° |
| H11 | N2 | C8 | C10 | 89.0° | 95.0° |
| H11 | N2 | C8 | H12 | 150.5° | 144.9° |
| C9 | C8 | C10 | H12 | 118.0° | 120.0° |
| C8 | C9 | O3 | N3 | 179.9° | 180.0° |
| C9 | C8 | C10 | H13 | 58.7° | 55.0° |
| C9 | C8 | C10 | H14 | 178.7° | 65.0° |
| C9 | C8 | C10 | H15 | 61.3° | 175.0° |
| C8 | C9 | N3 | C11 | 179.6° | 175.4° |
| C8 | C9 | N3 | C15 | 1.8° | 4.4° |
| C9 | C8 | N2 | C4 | 145.7° | 155.0° |
| C10 | C8 | C9 | O3 | 101.1° | 94.7° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C10 | C8 | N2 | C4 | 91.0° | 85.0° |
| C10 | C8 | C9 | N3 | 79.0° | 85.3° |
| H12 | C8 | C9 | O3 | 140.6° | 145.3° |
| H12 | C8 | C10 | H13 | 59.4° | 175.0° |
| H12 | C8 | C10 | H14 | 60.6° | 55.0° |
| H12 | C8 | C10 | H15 | 179.4° | 65.0° |
| H12 | C8 | N2 | C4 | 29.5° | 35.0° |
| H12 | C8 | C9 | N3 | 39.3° | 34.7° |
| O3 | C9 | N3 | C11 | 0.3° | 4.6° |
| O3 | C9 | N3 | C15 | 178.1° | 175.7° |
| H13 | C10 | H14 | H15 | 120.0° | 120.1° |
| C11 | N3 | C15 | C9 | 178.0° | 179.8° |
| N3 | C11 | C12 | C13 | 115.2° | 117.8° |
| N3 | C11 | C12 | H16 | 122.8° | 121.0° |
| N3 | C11 | C13 | H16 | 120.6° | 119.5° |
| N3 | C11 | C12 | O4 | 50.0° | 0.0° |
| N3 | C11 | C13 | C14 | 8.6° | 22.2° |
| N3 | C11 | C13 | H17 | 128.1° | 140.5° |
| N3 | C11 | C13 | H18 | 110.9° | 96.2° |
| C11 | N3 | C15 | C14 | 0.1° | 24.4° |
| C11 | N3 | C15 | H21 | 119.1° | 94.5° |
| C11 | N3 | C15 | H22 | 119.3° | 143.2° |
| N3 | C11 | C12 | N4 | 131.8° | 180.0° |
| C15 | N3 | C11 | C12 | 112.2° | 120.7° |
| C15 | N3 | C11 | C13 | 5.5° | 1.3° |
| C15 | N3 | C11 | H16 | 125.4° | 118.3° |
| N3 | C15 | C14 | C13 | 5.7° | 37.3° |
| N3 | C15 | C14 | H21 | 119.2° | 118.8° |
| N3 | C15 | C14 | H22 | 119.2° | 118.7° |
| N3 | C15 | C14 | H19 | 114.3° | 80.8° |
| N3 | C15 | C14 | H20 | 125.7° | 155.3° |
| N3 | C15 | H21 | H22 | 122.3° | 122.3° |
| C12 | C11 | C13 | H16 | 122.1° | 121.1° |
| C11 | C12 | O4 | N4 | 178.0° | 180.0° |
| C12 | C11 | C13 | C14 | 108.7° | 97.2° |
| C12 | C11 | C13 | H17 | 10.8° | 21.1° |
| C12 | C11 | C13 | H18 | 131.9° | 144.4° |
| C11 | C12 | N4 | C16 | 176.3° | 180.0° |
| C11 | C12 | N4 | H23 | 3.7° | 0.0° |
| C12 | C11 | N3 | C9 | 69.7° | 59.6° |
| C13 | C11 | C12 | O4 | 65.1° | 117.8° |
| C11 | C13 | C14 | H17 | 119.5° | 118.3° |
| C11 | C13 | C14 | H18 | 119.5° | 118.4° |
| C11 | C13 | H17 | H18 | 121.5° | 123.2° |
| C11 | C13 | C14 | C15 | 9.1° | 35.7° |
| C11 | C13 | C14 | H19 | 111.0° | 82.5° |
| C11 | C13 | C14 | H20 | 129.1° | 153.5° |
| C13 | C11 | C12 | N4 | 113.1° | 62.2° |
| C13 | C11 | N3 | C9 | 172.6° | 179.0° |
| H16 | C11 | C12 | O4 | 172.9° | 121.0° |
| H16 | C11 | C13 | C14 | 129.2° | 141.7° |
| H16 | C11 | C13 | H17 | 111.3° | 100.0° |
| H16 | C11 | C13 | H18 | 9.7° | 23.3° |
| H16 | C11 | C12 | N4 | 8.9° | 59.0° |
| H16 | C11 | N3 | C9 | 52.7° | 61.5° |
| O4 | C12 | N4 | C16 | 1.6° | 0.0° |
| O4 | C12 | N4 | H23 | 178.4° | 180.0° |
| C14 | C13 | H17 | H18 | 121.5° | 123.3° |
| C13 | C14 | C15 | H19 | 120.0° | 118.1° |
| C13 | C14 | C15 | H20 | 120.0° | 118.0° |
| C13 | C14 | H19 | H20 | 120.0° | 124.0° |
| C13 | C14 | C15 | H21 | 113.5° | 81.5° |
| C13 | C14 | C15 | H22 | 124.9° | 156.0° |
| H17 | C13 | C14 | C15 | 128.6° | 154.0° |
| H17 | C13 | C14 | H19 | 8.5° | 35.8° |
| H17 | C13 | C14 | H20 | 111.4° | 88.1° |
| H18 | C13 | C14 | C15 | 110.4° | 82.7° |
| H18 | C13 | C14 | H19 | 129.6° | 159.1° |
| H18 | C13 | C14 | H20 | 9.6° | 35.2° |
| C15 | C14 | H19 | H20 | 119.9° | 123.9° |
| C14 | C15 | H21 | H22 | 122.4° | 122.4° |
| C14 | C15 | N3 | C9 | 178.1° | 155.8° |
| H19 | C14 | C15 | H21 | 126.5° | 160.4° |
| H19 | C14 | C15 | H22 | 4.9° | 37.9° |
| H20 | C14 | C15 | H21 | 6.5° | 36.5° |
| H20 | C14 | C15 | H22 | 115.1° | 86.0° |
| H21 | C15 | N3 | C9 | 58.9° | 85.3° |
| H22 | C15 | N3 | C9 | 62.7° | 37.1° |
| C16 | N4 | H23 | C12 | 180.0° | 180.0° |
| N4 | C16 | C17 | C18 | 124.1° | 120.0° |
| N4 | C16 | C17 | H24 | 116.8° | 120.0° |
| N4 | C16 | C18 | H24 | 117.5° | 120.0° |
| N4 | C16 | C17 | O5 | 175.5° | 0.0° |
| N4 | C16 | C17 | H25 | 4.5° | 180.0° |
| N4 | C16 | C18 | C19 | 70.3° | 65.0° |
| N4 | C16 | C18 | H26 | 50.5° | 55.0° |
| N4 | C16 | C18 | H27 | 168.9° | 175.0° |
| H23 | N4 | C16 | C17 | 85.2° | 95.0° |
| H23 | N4 | C16 | C18 | 41.3° | 25.0° |
| H23 | N4 | C16 | H24 | 158.4° | 145.0° |
| C17 | C16 | C18 | H24 | 118.9° | 120.0° |
| C16 | C17 | O5 | H25 | 180.0° | 180.0° |
| C17 | C16 | C18 | C19 | 166.1° | 175.0° |
| C17 | C16 | C18 | H26 | 73.1° | 65.0° |
| C17 | C16 | C18 | H27 | 45.3° | 55.0° |
| C17 | C16 | N4 | C12 | 94.8° | 85.0° |
| C18 | C16 | C17 | O5 | 51.4° | 120.0° |
| C18 | C16 | C17 | H25 | 128.6° | 60.0° |
| C16 | C18 | C19 | H26 | 120.8° | 120.0° |
| C16 | C18 | C19 | H27 | 120.8° | 120.0° |
| C16 | C18 | H26 | H27 | 117.6° | 120.0° |
| C16 | C18 | C19 | C20 | 24.3° | 89.9° |
| C16 | C18 | C19 | C21 | 155.9° | 90.3° |
| C18 | C16 | N4 | C12 | 138.7° | 155.0° |
| H24 | C16 | C17 | O5 | 67.7° | 120.0° |
| H24 | C16 | C17 | H25 | 112.3° | 60.0° |
| H24 | C16 | C18 | C19 | 47.2° | 55.0° |
| H24 | C16 | C18 | H26 | 168.0° | 175.0° |
| H24 | C16 | C18 | H27 | 73.6° | 65.0° |
| H24 | C16 | N4 | C12 | 21.6° | 35.0° |
| C19 | C18 | H26 | H27 | 117.6° | 120.0° |
| C18 | C19 | C20 | C21 | 179.8° | 179.8° |
| C18 | C19 | C20 | C22 | 179.4° | 180.0° |
| C18 | C19 | C20 | H28 | 0.6° | 0.1° |
| C18 | C19 | C21 | C23 | 179.3° | 179.9° |
| C18 | C19 | C21 | H29 | 0.8° | 0.0° |
| H26 | C18 | C19 | C20 | 145.1° | 30.0° |
| H26 | C18 | C19 | C21 | 35.2° | 149.7° |
| H27 | C18 | C19 | C20 | 96.5° | 150.0° |
| H27 | C18 | C19 | C21 | 83.3° | 29.8° |
| C19 | C20 | C22 | H28 | 180.0° | 179.9° |
| C20 | C19 | C21 | C23 | 0.5° | 0.3° |
| C20 | C19 | C21 | H29 | 179.5° | 179.8° |
| C19 | C20 | C22 | C24 | 0.4° | 0.1° |
| C19 | C20 | C22 | H30 | 179.7° | 180.0° |
| C21 | C19 | C20 | C22 | 0.4° | 0.2° |
| C21 | C19 | C20 | H28 | 179.7° | 179.7° |
| C19 | C21 | C23 | H29 | 180.0° | 179.9° |
| C19 | C21 | C23 | C24 | 0.7° | 0.0° |
| C19 | C21 | C23 | H31 | 179.3° | 180.0° |
| C20 | C22 | C24 | H30 | 180.0° | 179.9° |
| C20 | C22 | C24 | C23 | 0.6° | 0.3° |
| C20 | C22 | C24 | H32 | 179.4° | 179.9° |
| H28 | C20 | C22 | C24 | 179.6° | 180.0° |
| H28 | C20 | C22 | H30 | 0.3° | 0.1° |
| C21 | C23 | C24 | C22 | 0.7° | 0.2° |
| C21 | C23 | C24 | H31 | 180.0° | 179.9° |
| C21 | C23 | C24 | H32 | 179.3° | 180.0° |
| H29 | C21 | C23 | C24 | 179.3° | 180.0° |
| H29 | C21 | C23 | H31 | 0.7° | 0.1° |
| C22 | C24 | C23 | H32 | 180.0° | 179.8° |
| C22 | C24 | C23 | H31 | 179.3° | 179.7° |
| H30 | C22 | C24 | C23 | 179.5° | 179.8° |
| H30 | C22 | C24 | H32 | 0.5° | 0.0° |
| H31 | C23 | C24 | H32 | 0.7° | 0.0° |
