PRD_002412
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C11 | sing | 1.46Å | 1.45Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| N5 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| N5 | C24 | sing | 1.35Å | 1.34Å | Aromatic |
| C23 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| O4 | C25 | doub | 1.21Å | 1.20Å | |
| C24 | N4 | doub | 1.30Å | 1.33Å | Aromatic |
| C22 | N4 | sing | 1.34Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | C25 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C25 | H36 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | N3 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 121.2° | 120.0° |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C1 | C2 | H1 | 108.8° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C2 | C1 | N1 | 116.0° | 120.0° |
| O1 | C1 | N1 | 122.8° | 120.0° |
| C3 | C2 | H1 | 108.8° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | C4 | 112.7° | 109.5° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| C2 | C3 | H4 | 108.7° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.4° |
| C3 | C4 | C5 | 113.9° | 109.5° |
| C3 | C4 | H5 | 108.3° | 109.5° |
| C3 | C4 | H6 | 108.3° | 109.4° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| C5 | C4 | H5 | 108.4° | 109.5° |
| C5 | C4 | H6 | 108.4° | 109.5° |
| C4 | C5 | C6 | 114.0° | 109.5° |
| C4 | C5 | H7 | 108.3° | 109.5° |
| C4 | C5 | H8 | 108.3° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| C6 | C5 | H7 | 108.3° | 109.5° |
| C6 | C5 | H8 | 108.3° | 109.4° |
| C5 | C6 | C7 | 114.7° | 109.5° |
| C5 | C6 | H9 | 108.2° | 109.5° |
| C5 | C6 | H10 | 108.2° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C7 | C6 | H9 | 108.2° | 109.5° |
| C7 | C6 | H10 | 108.2° | 109.5° |
| C6 | C7 | C8 | 113.3° | 109.5° |
| C6 | C7 | H11 | 108.5° | 109.5° |
| C6 | C7 | H12 | 108.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.4° |
| C8 | C7 | H11 | 108.5° | 109.5° |
| C8 | C7 | H12 | 108.5° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.4° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.4° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| C9 | N1 | H16 | 119.1° | 120.0° |
| N1 | C9 | C10 | 113.1° | 109.4° |
| N1 | C9 | H17 | 108.5° | 109.4° |
| N1 | C9 | H18 | 108.5° | 109.5° |
| C9 | N1 | C1 | 121.8° | 120.0° |
| H16 | N1 | C1 | 119.0° | 120.0° |
| C10 | C9 | H17 | 108.6° | 109.5° |
| C10 | C9 | H18 | 108.6° | 109.5° |
| C9 | C10 | O2 | 120.7° | 120.0° |
| C9 | C10 | N2 | 116.7° | 120.0° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| O2 | C10 | N2 | 122.6° | 120.0° |
| C11 | N2 | H19 | 119.5° | 120.0° |
| N2 | C11 | C12 | 111.1° | 109.5° |
| N2 | C11 | C13 | 112.1° | 109.5° |
| N2 | C11 | H20 | 107.5° | 109.5° |
| C11 | N2 | C10 | 121.0° | 120.0° |
| H19 | N2 | C10 | 119.5° | 120.0° |
| C12 | C11 | C13 | 112.5° | 109.4° |
| C12 | C11 | H20 | 106.7° | 109.4° |
| C11 | C12 | O3 | 120.7° | 120.0° |
| C11 | C12 | N3 | 115.9° | 120.0° |
| C13 | C11 | H20 | 106.5° | 109.5° |
| C11 | C13 | C14 | 111.0° | 109.4° |
| C11 | C13 | H21 | 109.1° | 109.4° |
| C11 | C13 | H22 | 109.1° | 109.5° |
| O3 | C12 | N3 | 123.2° | 120.0° |
| C14 | C13 | H21 | 109.1° | 109.5° |
| C14 | C13 | H22 | 109.1° | 109.5° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | C16 | 120.7° | 120.0° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| C15 | C14 | C16 | 118.4° | 120.0° |
| C14 | C15 | C17 | 120.7° | 120.0° |
| C14 | C15 | H23 | 119.7° | 120.0° |
| C14 | C16 | C18 | 120.8° | 120.0° |
| C14 | C16 | H24 | 119.6° | 120.0° |
| C17 | C15 | H23 | 119.7° | 120.0° |
| C15 | C17 | C19 | 120.2° | 120.0° |
| C15 | C17 | H25 | 119.9° | 120.0° |
| C18 | C16 | H24 | 119.6° | 120.0° |
| C16 | C18 | C19 | 120.1° | 120.0° |
| C16 | C18 | H26 | 119.9° | 120.0° |
| C19 | C17 | H25 | 119.9° | 120.0° |
| C17 | C19 | C18 | 119.7° | 120.0° |
| C17 | C19 | H27 | 120.1° | 120.1° |
| C19 | C18 | H26 | 119.9° | 120.0° |
| C18 | C19 | H27 | 120.2° | 120.0° |
| C23 | N5 | C24 | 107.2° | 107.2° |
| N5 | C23 | C22 | 106.7° | 106.8° |
| N5 | C23 | H33 | 126.7° | 126.6° |
| C23 | N5 | H35 | 126.4° | 126.4° |
| N5 | C24 | N4 | 111.8° | 108.7° |
| N5 | C24 | H34 | 124.1° | 125.6° |
| C24 | N5 | H35 | 126.4° | 126.4° |
| C23 | C22 | N4 | 109.1° | 108.0° |
| C23 | C22 | C21 | 129.6° | 126.0° |
| C22 | C23 | H33 | 126.6° | 126.6° |
| O4 | C25 | C20 | 124.5° | 120.0° |
| O4 | C25 | H36 | 117.7° | 120.0° |
| C24 | N4 | C22 | 105.2° | 109.3° |
| C24 | N4 | H32 | 127.4° | 125.4° |
| N4 | C24 | H34 | 124.1° | 125.7° |
| N4 | C22 | C21 | 121.3° | 126.0° |
| C22 | N4 | H32 | 127.4° | 125.3° |
| C22 | C21 | C20 | 114.7° | 109.5° |
| C22 | C21 | H30 | 108.1° | 109.5° |
| C22 | C21 | H31 | 108.1° | 109.5° |
| C25 | C20 | C21 | 111.2° | 109.5° |
| C25 | C20 | N3 | 110.1° | 109.5° |
| C25 | C20 | H29 | 108.0° | 109.4° |
| C20 | C25 | H36 | 117.8° | 120.0° |
| C21 | C20 | N3 | 111.3° | 109.5° |
| C21 | C20 | H29 | 107.6° | 109.5° |
| C20 | C21 | H30 | 108.1° | 109.5° |
| C20 | C21 | H31 | 108.2° | 109.5° |
| C20 | N3 | H28 | 119.4° | 120.0° |
| N3 | C20 | H29 | 108.5° | 109.5° |
| C20 | N3 | C12 | 121.2° | 120.0° |
| H28 | N3 | C12 | 119.4° | 120.0° |
| H30 | C21 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N1 | 179.6° | 179.7° |
| C1 | C2 | C3 | H1 | 120.4° | 120.0° |
| C1 | C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C2 | H1 | H2 | 118.7° | 120.0° |
| C1 | C2 | C3 | C4 | 59.5° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H4 | 60.9° | 60.0° |
| C2 | C1 | N1 | C9 | 179.7° | 180.0° |
| C2 | C1 | N1 | H16 | 0.3° | 0.0° |
| O1 | C1 | C2 | C3 | 55.8° | 0.0° |
| O1 | C1 | C2 | H1 | 176.3° | 120.0° |
| O1 | C1 | C2 | H2 | 64.6° | 120.0° |
| O1 | C1 | N1 | C9 | 0.6° | 0.3° |
| O1 | C1 | N1 | H16 | 179.4° | 179.7° |
| C3 | C2 | H1 | H2 | 118.7° | 120.0° |
| C2 | C3 | C4 | H3 | 120.5° | 120.0° |
| C2 | C3 | C4 | H4 | 120.5° | 120.0° |
| C2 | C3 | H3 | H4 | 118.5° | 120.1° |
| C2 | C3 | C4 | C5 | 172.3° | 180.0° |
| C2 | C3 | C4 | H5 | 51.6° | 60.0° |
| C2 | C3 | C4 | H6 | 67.0° | 60.0° |
| C3 | C2 | C1 | N1 | 123.8° | 179.7° |
| H1 | C2 | C3 | C4 | 60.9° | 60.0° |
| H1 | C2 | C3 | H3 | 59.6° | NaN° |
| H1 | C2 | C3 | H4 | 178.6° | 59.9° |
| H1 | C2 | C1 | N1 | 3.4° | 60.3° |
| H2 | C2 | C3 | C4 | 180.0° | 60.0° |
| H2 | C2 | C3 | H3 | 59.5° | 60.0° |
| H2 | C2 | C3 | H4 | 59.5° | 180.0° |
| H2 | C2 | C1 | N1 | 115.7° | 59.7° |
| C4 | C3 | H3 | H4 | 118.5° | 119.9° |
| C3 | C4 | C5 | H5 | 120.7° | 120.0° |
| C3 | C4 | C5 | H6 | 120.6° | 120.0° |
| C3 | C4 | H5 | H6 | 117.9° | 119.9° |
| C3 | C4 | C5 | C6 | 158.4° | 180.0° |
| C3 | C4 | C5 | H7 | 80.9° | 60.0° |
| C3 | C4 | C5 | H8 | 37.8° | 60.0° |
| H3 | C3 | C4 | C5 | 67.2° | 60.0° |
| H3 | C3 | C4 | H5 | 172.2° | 180.0° |
| H3 | C3 | C4 | H6 | 53.5° | 60.0° |
| H4 | C3 | C4 | C5 | 51.8° | 60.0° |
| H4 | C3 | C4 | H5 | 68.8° | 60.1° |
| H4 | C3 | C4 | H6 | 172.5° | 180.0° |
| C5 | C4 | H5 | H6 | 118.0° | 120.0° |
| C4 | C5 | C6 | H7 | 120.7° | 120.0° |
| C4 | C5 | C6 | H8 | 120.7° | 120.0° |
| C4 | C5 | H7 | H8 | 117.9° | 120.0° |
| C4 | C5 | C6 | C7 | 171.6° | 180.0° |
| C4 | C5 | C6 | H9 | 50.9° | 59.9° |
| C4 | C5 | C6 | H10 | 67.6° | 60.0° |
| H5 | C4 | C5 | C6 | 37.8° | 60.0° |
| H5 | C4 | C5 | H7 | 158.5° | 180.0° |
| H5 | C4 | C5 | H8 | 82.9° | 60.0° |
| H6 | C4 | C5 | C6 | 80.9° | 60.0° |
| H6 | C4 | C5 | H7 | 39.7° | 60.0° |
| H6 | C4 | C5 | H8 | 158.4° | 180.0° |
| C6 | C5 | H7 | H8 | 118.0° | 119.9° |
| C5 | C6 | C7 | H9 | 120.8° | 120.0° |
| C5 | C6 | C7 | H10 | 120.8° | 120.0° |
| C5 | C6 | H9 | H10 | 117.6° | 119.9° |
| C5 | C6 | C7 | C8 | 61.7° | 180.0° |
| C5 | C6 | C7 | H11 | 58.9° | 60.0° |
| C5 | C6 | C7 | H12 | 177.7° | 60.0° |
| H7 | C5 | C6 | C7 | 67.7° | 60.0° |
| H7 | C5 | C6 | H9 | 171.5° | 180.0° |
| H7 | C5 | C6 | H10 | 53.1° | 60.0° |
| H8 | C5 | C6 | C7 | 51.0° | 60.0° |
| H8 | C5 | C6 | H9 | 69.8° | 60.1° |
| H8 | C5 | C6 | H10 | 171.8° | 180.0° |
| C7 | C6 | H9 | H10 | 117.6° | 120.0° |
| C6 | C7 | C8 | H11 | 120.6° | 120.1° |
| C6 | C7 | C8 | H12 | 120.6° | 120.0° |
| C6 | C7 | H11 | H12 | 118.3° | 120.0° |
| C6 | C7 | C8 | H13 | 180.0° | 60.0° |
| C6 | C7 | C8 | H14 | 60.0° | 180.0° |
| C6 | C7 | C8 | H15 | 60.0° | 60.0° |
| H9 | C6 | C7 | C8 | 177.5° | 60.0° |
| H9 | C6 | C7 | H11 | 61.9° | 180.0° |
| H9 | C6 | C7 | H12 | 56.9° | 60.0° |
| H10 | C6 | C7 | C8 | 59.1° | 60.0° |
| H10 | C6 | C7 | H11 | 179.6° | 60.0° |
| H10 | C6 | C7 | H12 | 61.5° | 180.0° |
| C8 | C7 | H11 | H12 | 118.2° | 119.9° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| H11 | C7 | C8 | H13 | 59.4° | 60.1° |
| H11 | C7 | C8 | H14 | 179.4° | 59.9° |
| H11 | C7 | C8 | H15 | 60.6° | 180.0° |
| H12 | C7 | C8 | H13 | 59.4° | 180.0° |
| H12 | C7 | C8 | H14 | 60.6° | 60.0° |
| H12 | C7 | C8 | H15 | 179.4° | 60.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| C9 | N1 | H16 | C1 | 180.0° | 180.0° |
| N1 | C9 | C10 | H17 | 120.5° | 119.9° |
| N1 | C9 | C10 | H18 | 120.5° | 120.0° |
| N1 | C9 | H17 | H18 | 118.3° | 120.0° |
| N1 | C9 | C10 | O2 | 4.1° | 0.0° |
| N1 | C9 | C10 | N2 | 175.4° | 180.0° |
| H16 | N1 | C9 | C10 | 45.6° | 0.0° |
| H16 | N1 | C9 | H17 | 74.9° | 120.0° |
| H16 | N1 | C9 | H18 | 166.2° | 120.0° |
| C10 | C9 | H17 | H18 | 118.4° | 120.1° |
| C9 | C10 | O2 | N2 | 179.5° | 180.0° |
| C9 | C10 | N2 | C11 | 178.9° | 180.0° |
| C9 | C10 | N2 | H19 | 1.0° | 0.0° |
| C10 | C9 | N1 | C1 | 134.4° | 180.0° |
| H17 | C9 | C10 | O2 | 116.4° | 120.0° |
| H17 | C9 | N1 | C1 | 105.1° | 60.0° |
| H17 | C9 | C10 | N2 | 64.1° | 60.1° |
| H18 | C9 | C10 | O2 | 124.6° | 120.0° |
| H18 | C9 | N1 | C1 | 13.8° | 60.0° |
| H18 | C9 | C10 | N2 | 54.9° | 60.0° |
| O2 | C10 | N2 | C11 | 0.6° | 0.1° |
| O2 | C10 | N2 | H19 | 179.5° | 180.0° |
| C11 | N2 | H19 | C10 | 180.0° | 179.9° |
| N2 | C11 | C12 | C13 | 126.6° | 120.0° |
| N2 | C11 | C12 | H20 | 116.9° | 120.0° |
| N2 | C11 | C13 | H20 | 117.3° | 120.1° |
| N2 | C11 | C12 | O3 | 43.2° | 0.1° |
| N2 | C11 | C13 | C14 | 70.7° | 65.0° |
| N2 | C11 | C13 | H21 | 49.5° | 55.0° |
| N2 | C11 | C13 | H22 | 169.0° | 175.0° |
| N2 | C11 | C12 | N3 | 132.2° | 180.0° |
| H19 | N2 | C11 | C12 | 102.9° | 25.0° |
| H19 | N2 | C11 | C13 | 24.0° | 95.0° |
| H19 | N2 | C11 | H20 | 140.7° | 145.0° |
| C12 | C11 | C13 | H20 | 116.6° | 120.0° |
| C11 | C12 | O3 | N3 | 175.0° | 179.9° |
| C12 | C11 | C13 | C14 | 163.2° | 175.0° |
| C12 | C11 | C13 | H21 | 76.6° | 65.0° |
| C12 | C11 | C13 | H22 | 42.9° | 55.0° |
| C11 | C12 | N3 | C20 | 178.8° | 179.9° |
| C11 | C12 | N3 | H28 | 1.3° | 0.0° |
| C12 | C11 | N2 | C10 | 77.1° | 155.0° |
| C13 | C11 | C12 | O3 | 83.4° | 120.1° |
| C11 | C13 | C14 | H21 | 120.3° | 119.9° |
| C11 | C13 | C14 | H22 | 120.2° | 120.0° |
| C11 | C13 | H21 | H22 | 119.3° | 120.0° |
| C11 | C13 | C14 | C15 | 84.9° | 90.0° |
| C11 | C13 | C14 | C16 | 88.5° | 90.3° |
| C13 | C11 | N2 | C10 | 156.1° | 85.0° |
| C13 | C11 | C12 | N3 | 101.2° | 60.0° |
| H20 | C11 | C12 | O3 | 160.1° | 120.0° |
| H20 | C11 | C13 | C14 | 46.6° | 55.0° |
| H20 | C11 | C13 | H21 | 166.8° | 175.0° |
| H20 | C11 | C13 | H22 | 73.7° | 65.0° |
| H20 | C11 | N2 | C10 | 39.3° | 35.1° |
| H20 | C11 | C12 | N3 | 15.3° | 60.0° |
| O3 | C12 | N3 | C20 | 6.0° | 0.0° |
| O3 | C12 | N3 | H28 | 174.0° | 179.9° |
| C14 | C13 | H21 | H22 | 119.3° | 120.0° |
| C13 | C14 | C15 | C16 | 173.6° | 179.7° |
| C13 | C14 | C15 | C17 | 171.1° | 180.0° |
| C13 | C14 | C15 | H23 | 8.9° | 0.0° |
| C13 | C14 | C16 | C18 | 171.2° | 180.0° |
| C13 | C14 | C16 | H24 | 8.8° | 0.0° |
| H21 | C13 | C14 | C15 | 154.8° | 30.0° |
| H21 | C13 | C14 | C16 | 31.7° | 149.7° |
| H22 | C13 | C14 | C15 | 35.3° | 150.0° |
| H22 | C13 | C14 | C16 | 151.3° | 29.7° |
| C14 | C15 | C17 | H23 | 180.0° | 180.0° |
| C15 | C14 | C16 | C18 | 2.4° | 0.3° |
| C15 | C14 | C16 | H24 | 177.6° | 179.7° |
| C14 | C15 | C17 | C19 | 0.9° | 0.0° |
| C14 | C15 | C17 | H25 | 179.2° | 179.9° |
| C16 | C14 | C15 | C17 | 2.5° | 0.3° |
| C16 | C14 | C15 | H23 | 177.5° | 179.7° |
| C14 | C16 | C18 | H24 | 180.0° | 180.0° |
| C14 | C16 | C18 | C19 | 0.6° | 0.0° |
| C14 | C16 | C18 | H26 | 179.4° | 180.0° |
| C15 | C17 | C19 | H25 | 180.0° | 180.0° |
| C15 | C17 | C19 | C18 | 1.0° | 0.2° |
| C15 | C17 | C19 | H27 | 179.1° | 179.9° |
| H23 | C15 | C17 | C19 | 179.1° | 179.9° |
| H23 | C15 | C17 | H25 | 0.9° | 0.1° |
| C16 | C18 | C19 | C17 | 1.1° | 0.2° |
| C16 | C18 | C19 | H26 | 180.0° | 180.0° |
| C16 | C18 | C19 | H27 | 179.0° | 179.9° |
| H24 | C16 | C18 | C19 | 179.4° | 180.0° |
| H24 | C16 | C18 | H26 | 0.6° | 0.0° |
| C17 | C19 | C18 | H27 | 180.0° | 179.8° |
| C17 | C19 | C18 | H26 | 178.9° | 179.8° |
| H25 | C17 | C19 | C18 | 179.0° | 179.8° |
| H25 | C17 | C19 | H27 | 1.0° | 0.1° |
| H26 | C18 | C19 | H27 | 1.1° | 0.1° |
| C23 | N5 | C24 | H35 | 180.0° | 179.9° |
| N5 | C23 | C22 | H33 | 180.0° | 180.0° |
| C23 | N5 | C24 | N4 | 0.1° | 0.4° |
| N5 | C23 | C22 | N4 | 0.2° | 0.0° |
| N5 | C23 | C22 | C21 | 178.0° | 179.7° |
| C23 | N5 | C24 | H34 | 179.9° | 179.9° |
| C24 | N5 | C23 | C22 | 0.2° | 0.2° |
| N5 | C24 | N4 | H34 | 180.0° | 179.6° |
| N5 | C24 | N4 | C22 | 0.1° | 0.4° |
| N5 | C24 | N4 | H32 | 179.9° | 179.6° |
| C24 | N5 | C23 | H33 | 179.8° | 179.8° |
| C23 | C22 | N4 | C24 | 0.2° | 0.2° |
| C23 | C22 | N4 | C21 | 178.4° | 179.7° |
| C23 | C22 | C21 | C20 | 18.0° | 85.3° |
| C23 | C22 | C21 | H30 | 102.7° | 154.7° |
| C23 | C22 | C21 | H31 | 138.8° | 34.7° |
| C23 | C22 | N4 | H32 | 179.8° | 179.7° |
| C22 | C23 | N5 | H35 | 179.8° | 179.9° |
| O4 | C25 | C20 | H36 | 180.0° | 180.0° |
| O4 | C25 | C20 | C21 | 70.4° | 120.0° |
| O4 | C25 | C20 | N3 | 165.8° | 0.0° |
| O4 | C25 | C20 | H29 | 47.4° | 120.0° |
| C24 | N4 | C22 | H32 | 180.0° | 179.9° |
| C24 | N4 | C22 | C21 | 178.2° | 180.0° |
| N4 | C24 | N5 | H35 | 180.0° | 179.8° |
| N4 | C22 | C21 | C20 | 163.9° | 95.0° |
| N4 | C22 | C21 | H30 | 75.4° | 25.0° |
| N4 | C22 | C21 | H31 | 43.1° | 145.0° |
| N4 | C22 | C23 | H33 | 179.8° | 180.0° |
| C22 | N4 | C24 | H34 | 179.9° | 179.9° |
| C22 | C21 | C20 | C25 | 159.6° | 175.0° |
| C22 | C21 | C20 | H30 | 120.7° | 120.0° |
| C22 | C21 | C20 | H31 | 120.7° | 120.0° |
| C22 | C21 | C20 | N3 | 77.3° | 65.0° |
| C22 | C21 | C20 | H29 | 41.5° | 55.0° |
| C22 | C21 | H30 | H31 | 117.6° | 120.0° |
| C21 | C22 | N4 | H32 | 1.8° | 0.0° |
| C21 | C22 | C23 | H33 | 2.0° | 0.2° |
| C25 | C20 | C21 | N3 | 123.1° | 120.0° |
| C25 | C20 | C21 | H29 | 118.1° | 120.0° |
| C25 | C20 | N3 | H29 | 118.0° | 120.0° |
| C25 | C20 | N3 | H28 | 78.5° | 95.1° |
| C25 | C20 | C21 | H30 | 38.8° | 65.0° |
| C25 | C20 | C21 | H31 | 79.7° | 55.0° |
| C25 | C20 | N3 | C12 | 101.5° | 85.0° |
| C21 | C20 | N3 | H29 | 118.2° | 120.0° |
| C21 | C20 | N3 | H28 | 45.3° | 24.9° |
| C20 | C21 | H30 | H31 | 117.6° | 120.0° |
| C21 | C20 | C25 | H36 | 109.6° | 60.0° |
| C21 | C20 | N3 | C12 | 134.7° | 155.0° |
| C20 | N3 | H28 | C12 | 180.0° | 179.9° |
| N3 | C20 | C21 | H30 | 162.0° | 55.0° |
| N3 | C20 | C21 | H31 | 43.5° | 175.0° |
| N3 | C20 | C25 | H36 | 14.2° | 180.0° |
| H28 | N3 | C20 | H29 | 163.4° | 145.0° |
| H29 | C20 | C21 | H30 | 79.3° | 175.1° |
| H29 | C20 | C21 | H31 | 162.2° | 65.0° |
| H29 | C20 | C25 | H36 | 132.6° | 60.0° |
| H29 | C20 | N3 | C12 | 16.5° | 34.9° |
| H32 | N4 | C24 | H34 | 0.1° | 0.0° |
| H33 | C23 | N5 | H35 | 0.2° | 0.0° |
| H34 | C24 | N5 | H35 | 0.0° | 0.2° |
