PRD_001000
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.48Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | O3 | sing | 1.43Å | 1.42Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.24Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.46Å | 1.47Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.59Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C14 | sing | 1.47Å | 1.46Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | O6 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C25 | sing | 1.51Å | 1.56Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | N6 | sing | 1.34Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.35Å | 1.36Å | Aromatic |
| N6 | C24 | doub | 1.31Å | 1.32Å | Aromatic |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| C23 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | H39 | sing | 1.08Å | 1.08Å | |
| C24 | N7 | sing | 1.35Å | 1.32Å | Aromatic |
| C24 | H40 | sing | 1.08Å | 1.08Å | |
| N7 | H41 | sing | 0.97Å | 1.00Å | |
| C25 | O7 | doub | 1.21Å | 1.23Å | |
| C25 | H42 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | N3 | sing | 1.35Å | 1.33Å | |
| C10 | N4 | sing | 1.35Å | 1.33Å | |
| C15 | N5 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.8° | 120.0° |
| O1 | C1 | N1 | 120.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 116.4° | 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 | H4 | 117.8° | 120.0° |
| N1 | C3 | C4 | 113.0° | 109.5° |
| N1 | C3 | C5 | 111.1° | 109.5° |
| N1 | C3 | H5 | 108.4° | 109.5° |
| C3 | N1 | C1 | 124.4° | 120.0° |
| H4 | N1 | C1 | 117.8° | 120.0° |
| C4 | C3 | C5 | 109.1° | 109.5° |
| C4 | C3 | H5 | 107.6° | 109.5° |
| C3 | C4 | O2 | 122.0° | 120.0° |
| C3 | C4 | N2 | 115.1° | 120.0° |
| C5 | C3 | H5 | 107.4° | 109.4° |
| C3 | C5 | O3 | 112.8° | 109.5° |
| C3 | C5 | H6 | 108.6° | 109.5° |
| C3 | C5 | H7 | 108.6° | 109.5° |
| O2 | C4 | N2 | 122.9° | 120.0° |
| O3 | C5 | H6 | 108.6° | 109.5° |
| O3 | C5 | H7 | 108.6° | 109.4° |
| C5 | O3 | H8 | 109.5° | 114.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C6 | N2 | H9 | 119.2° | 120.0° |
| N2 | C6 | C7 | 109.8° | 109.5° |
| N2 | C6 | C8 | 109.9° | 109.5° |
| N2 | C6 | H10 | 109.2° | 109.4° |
| C6 | N2 | C4 | 121.5° | 120.0° |
| H9 | N2 | C4 | 119.3° | 120.0° |
| C7 | C6 | C8 | 111.1° | 109.5° |
| C7 | C6 | H10 | 108.2° | 109.5° |
| C6 | C7 | O4 | 120.4° | 120.0° |
| C6 | C7 | N3 | 116.8° | 120.0° |
| C8 | C6 | H10 | 108.6° | 109.4° |
| C6 | C8 | H11 | 109.5° | 109.5° |
| C6 | C8 | H12 | 109.4° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| O4 | C7 | N3 | 122.8° | 120.0° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H13 | 109.4° | 109.4° |
| H12 | C8 | H13 | 109.4° | 109.4° |
| C9 | N3 | H14 | 118.9° | 120.0° |
| N3 | C9 | C10 | 108.4° | 109.4° |
| N3 | C9 | C11 | 113.0° | 109.5° |
| N3 | C9 | H15 | 108.4° | 109.5° |
| C9 | N3 | C7 | 122.2° | 120.0° |
| H14 | N3 | C7 | 118.9° | 120.0° |
| C10 | C9 | C11 | 112.3° | 109.5° |
| C10 | C9 | H15 | 107.6° | 109.5° |
| C9 | C10 | O5 | 121.7° | 120.0° |
| C9 | C10 | N4 | 116.4° | 120.0° |
| C11 | C9 | H15 | 106.9° | 109.4° |
| C9 | C11 | C12 | 112.6° | 109.5° |
| C9 | C11 | C13 | 111.6° | 109.4° |
| C9 | C11 | H16 | 106.8° | 109.5° |
| O5 | C10 | N4 | 121.9° | 120.0° |
| C12 | C11 | C13 | 111.3° | 109.5° |
| C12 | C11 | H16 | 107.1° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.4° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C13 | C11 | H16 | 107.2° | 109.5° |
| C11 | C13 | H20 | 109.5° | 109.5° |
| C11 | C13 | H21 | 109.5° | 109.4° |
| C11 | C13 | H22 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H19 | 109.4° | 109.4° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H20 | C13 | H22 | 109.4° | 109.6° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| C14 | N4 | H23 | 119.5° | 120.0° |
| N4 | C14 | C15 | 110.7° | 109.5° |
| N4 | C14 | C16 | 110.6° | 109.4° |
| N4 | C14 | H24 | 109.0° | 109.4° |
| C14 | N4 | C10 | 120.9° | 120.0° |
| H23 | N4 | C10 | 119.6° | 120.0° |
| C15 | C14 | C16 | 110.1° | 109.5° |
| C15 | C14 | H24 | 108.2° | 109.5° |
| C14 | C15 | O6 | 120.4° | 120.0° |
| C14 | C15 | N5 | 116.9° | 120.0° |
| C16 | C14 | H24 | 108.1° | 109.5° |
| C14 | C16 | C17 | 116.2° | 109.5° |
| C14 | C16 | H25 | 107.7° | 109.5° |
| C14 | C16 | H26 | 107.7° | 109.5° |
| O6 | C15 | N5 | 122.7° | 120.0° |
| C17 | C16 | H25 | 107.8° | 109.5° |
| C17 | C16 | H26 | 107.8° | 109.4° |
| C16 | C17 | C18 | 110.7° | 109.4° |
| C16 | C17 | C19 | 110.7° | 109.5° |
| C16 | C17 | H27 | 108.1° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| C18 | C17 | C19 | 110.8° | 109.5° |
| C18 | C17 | H27 | 108.2° | 109.4° |
| C17 | C18 | H28 | 109.5° | 109.4° |
| C17 | C18 | H29 | 109.5° | 109.5° |
| C17 | C18 | H30 | 109.5° | 109.5° |
| C19 | C17 | H27 | 108.2° | 109.5° |
| C17 | C19 | H31 | 109.5° | 109.5° |
| C17 | C19 | H32 | 109.5° | 109.5° |
| C17 | C19 | H33 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H30 | 109.4° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H31 | C19 | H33 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.4° |
| C20 | N5 | H34 | 119.7° | 120.0° |
| N5 | C20 | C21 | 110.7° | 109.4° |
| N5 | C20 | C25 | 109.1° | 109.5° |
| N5 | C20 | H35 | 108.2° | 109.4° |
| C20 | N5 | C15 | 120.6° | 120.0° |
| H34 | N5 | C15 | 119.7° | 120.0° |
| C21 | C20 | C25 | 114.3° | 109.5° |
| C21 | C20 | H35 | 107.3° | 109.5° |
| C20 | C21 | C22 | 113.9° | 109.5° |
| C20 | C21 | H36 | 108.3° | 109.5° |
| C20 | C21 | H37 | 108.4° | 109.5° |
| C25 | C20 | H35 | 107.0° | 109.5° |
| C20 | C25 | O7 | 123.2° | 120.0° |
| C20 | C25 | H42 | 118.4° | 120.0° |
| C22 | C21 | H36 | 108.4° | 109.5° |
| C22 | C21 | H37 | 108.4° | 109.4° |
| C21 | C22 | N6 | 122.8° | 126.0° |
| C21 | C22 | C23 | 131.3° | 126.0° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| N6 | C22 | C23 | 105.9° | 108.0° |
| C22 | N6 | C24 | 109.6° | 109.2° |
| C22 | N6 | H38 | 125.2° | 125.4° |
| C22 | C23 | N7 | 107.2° | 106.8° |
| C22 | C23 | H39 | 126.4° | 126.6° |
| C24 | N6 | H38 | 125.2° | 125.4° |
| N6 | C24 | N7 | 108.4° | 108.7° |
| N6 | C24 | H40 | 125.8° | 125.6° |
| N7 | C23 | H39 | 126.4° | 126.6° |
| C23 | N7 | C24 | 108.9° | 107.2° |
| C23 | N7 | H41 | 125.6° | 126.3° |
| N7 | C24 | H40 | 125.8° | 125.6° |
| C24 | N7 | H41 | 125.5° | 126.4° |
| O7 | C25 | H42 | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 171.0° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 3.3° | 0.0° |
| O1 | C1 | N1 | H4 | 176.7° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 174.5° | 179.7° |
| C2 | C1 | N1 | H4 | 5.5° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 171.0° | 179.7° |
| H2 | C2 | C1 | N1 | 69.0° | 59.8° |
| H3 | C2 | C1 | N1 | 51.0° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 124.1° | 120.0° |
| N1 | C3 | C4 | H5 | 119.7° | 120.1° |
| N1 | C3 | C5 | H5 | 118.4° | 120.0° |
| N1 | C3 | C4 | O2 | 29.3° | 0.0° |
| N1 | C3 | C5 | O3 | 76.7° | 65.0° |
| N1 | C3 | C5 | H6 | 43.8° | 175.0° |
| N1 | C3 | C5 | H7 | 162.8° | 55.0° |
| N1 | C3 | C4 | N2 | 151.6° | 180.0° |
| H4 | N1 | C3 | C4 | 83.6° | 25.0° |
| H4 | N1 | C3 | C5 | 39.4° | 95.0° |
| H4 | N1 | C3 | H5 | 157.2° | 145.0° |
| C4 | C3 | C5 | H5 | 116.3° | 120.0° |
| C3 | C4 | O2 | N2 | 179.0° | 180.0° |
| C4 | C3 | C5 | O3 | 158.1° | 55.0° |
| C4 | C3 | C5 | H6 | 81.5° | 65.0° |
| C4 | C3 | C5 | H7 | 37.6° | 175.0° |
| C3 | C4 | N2 | C6 | 161.3° | 180.0° |
| C3 | C4 | N2 | H9 | 18.8° | 0.0° |
| C4 | C3 | N1 | C1 | 96.4° | 155.0° |
| C5 | C3 | C4 | O2 | 94.8° | 120.0° |
| C3 | C5 | O3 | H6 | 120.5° | 120.0° |
| C3 | C5 | O3 | H7 | 120.5° | 120.0° |
| C3 | C5 | H6 | H7 | 118.5° | 120.0° |
| C3 | C5 | O3 | H8 | 180.0° | 180.0° |
| C5 | C3 | N1 | C1 | 140.6° | 85.0° |
| C5 | C3 | C4 | N2 | 84.3° | 60.0° |
| H5 | C3 | C4 | O2 | 149.0° | 120.1° |
| H5 | C3 | C5 | O3 | 41.7° | 175.0° |
| H5 | C3 | C5 | H6 | 162.2° | 55.0° |
| H5 | C3 | C5 | H7 | 78.7° | 65.0° |
| H5 | C3 | N1 | C1 | 22.8° | 34.9° |
| H5 | C3 | C4 | N2 | 31.9° | 60.0° |
| O2 | C4 | N2 | C6 | 17.8° | 0.0° |
| O2 | C4 | N2 | H9 | 162.1° | 179.9° |
| O3 | C5 | H6 | H7 | 118.5° | 120.0° |
| H6 | C5 | O3 | H8 | 59.5° | 60.0° |
| H7 | C5 | O3 | H8 | 59.5° | 60.0° |
| C6 | N2 | H9 | C4 | 180.0° | 179.9° |
| N2 | C6 | C7 | C8 | 121.7° | 120.0° |
| N2 | C6 | C7 | H10 | 119.1° | 120.0° |
| N2 | C6 | C8 | H10 | 119.5° | 119.9° |
| N2 | C6 | C7 | O4 | 25.0° | 0.0° |
| N2 | C6 | C8 | H11 | 180.0° | 180.0° |
| N2 | C6 | C8 | H12 | 60.0° | 59.9° |
| N2 | C6 | C8 | H13 | 60.0° | 60.0° |
| N2 | C6 | C7 | N3 | 153.7° | 180.0° |
| H9 | N2 | C6 | C7 | 112.9° | 25.0° |
| H9 | N2 | C6 | C8 | 9.5° | 95.1° |
| H9 | N2 | C6 | H10 | 128.6° | 145.0° |
| C7 | C6 | C8 | H10 | 118.9° | 120.1° |
| C6 | C7 | O4 | N3 | 178.6° | 180.0° |
| C7 | C6 | C8 | H11 | 58.3° | 60.0° |
| C7 | C6 | C8 | H12 | 178.4° | 180.0° |
| C7 | C6 | C8 | H13 | 61.7° | 60.0° |
| C6 | C7 | N3 | C9 | 178.6° | 180.0° |
| C6 | C7 | N3 | H14 | 1.4° | 0.0° |
| C7 | C6 | N2 | C4 | 67.1° | 155.0° |
| C8 | C6 | C7 | O4 | 96.7° | 120.0° |
| C6 | C8 | H11 | H12 | 120.0° | 120.1° |
| C6 | C8 | H11 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C8 | C6 | N2 | C4 | 170.4° | 85.0° |
| C8 | C6 | C7 | N3 | 84.6° | 60.0° |
| H10 | C6 | C7 | O4 | 144.1° | 120.0° |
| H10 | C6 | C8 | H11 | 60.6° | 60.1° |
| H10 | C6 | C8 | H12 | 59.5° | 60.0° |
| H10 | C6 | C8 | H13 | 179.5° | 179.9° |
| H10 | C6 | N2 | C4 | 51.3° | 34.9° |
| H10 | C6 | C7 | N3 | 34.5° | 60.0° |
| O4 | C7 | N3 | C9 | 2.8° | 0.1° |
| O4 | C7 | N3 | H14 | 177.3° | 180.0° |
| H11 | C8 | H12 | H13 | 120.0° | 119.9° |
| C9 | N3 | H14 | C7 | 180.0° | 180.0° |
| N3 | C9 | C10 | C11 | 125.6° | 120.0° |
| N3 | C9 | C10 | H15 | 117.1° | 120.1° |
| N3 | C9 | C11 | H15 | 119.2° | 120.0° |
| N3 | C9 | C10 | O5 | 62.2° | 0.0° |
| N3 | C9 | C11 | C12 | 168.7° | 60.0° |
| N3 | C9 | C11 | C13 | 65.3° | 60.0° |
| N3 | C9 | C11 | H16 | 51.5° | 180.0° |
| N3 | C9 | C10 | N4 | 118.0° | 180.0° |
| H14 | N3 | C9 | C10 | 53.3° | 25.0° |
| H14 | N3 | C9 | C11 | 71.9° | 95.0° |
| H14 | N3 | C9 | H15 | 169.8° | 145.0° |
| C10 | C9 | C11 | H15 | 117.8° | 120.0° |
| C9 | C10 | O5 | N4 | 179.7° | 180.0° |
| C10 | C9 | C11 | C12 | 45.7° | 180.0° |
| C10 | C9 | C11 | C13 | 171.6° | 60.0° |
| C10 | C9 | C11 | H16 | 71.5° | 60.0° |
| C9 | C10 | N4 | C14 | 178.8° | 180.0° |
| C9 | C10 | N4 | H23 | 1.2° | 0.0° |
| C10 | C9 | N3 | C7 | 126.7° | 155.0° |
| C11 | C9 | C10 | O5 | 63.4° | 120.0° |
| C9 | C11 | C12 | C13 | 126.1° | 120.0° |
| C9 | C11 | C12 | H16 | 117.0° | 120.0° |
| C9 | C11 | C13 | H16 | 116.6° | 120.0° |
| C9 | C11 | C12 | H17 | 180.0° | 60.0° |
| C9 | C11 | C12 | H18 | 60.0° | 180.0° |
| C9 | C11 | C12 | H19 | 60.0° | 60.0° |
| C9 | C11 | C13 | H20 | 180.0° | 60.1° |
| C9 | C11 | C13 | H21 | 60.0° | 180.0° |
| C9 | C11 | C13 | H22 | 60.0° | 60.1° |
| C11 | C9 | N3 | C7 | 108.1° | 85.0° |
| C11 | C9 | C10 | N4 | 116.4° | 60.0° |
| H15 | C9 | C10 | O5 | 179.3° | 120.1° |
| H15 | C9 | C11 | C12 | 72.1° | 60.0° |
| H15 | C9 | C11 | C13 | 53.8° | 180.0° |
| H15 | C9 | C11 | H16 | 170.7° | 60.0° |
| H15 | C9 | N3 | C7 | 10.2° | 34.9° |
| H15 | C9 | C10 | N4 | 1.0° | 60.0° |
| O5 | C10 | N4 | C14 | 1.0° | 0.0° |
| O5 | C10 | N4 | H23 | 179.0° | 179.9° |
| C12 | C11 | C13 | H16 | 116.8° | 120.0° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H19 | 120.0° | 120.0° |
| C11 | C12 | H18 | H19 | 120.0° | 120.0° |
| C12 | C11 | C13 | H20 | 53.3° | 179.9° |
| C12 | C11 | C13 | H21 | 66.7° | 60.0° |
| C12 | C11 | C13 | H22 | 173.4° | 60.0° |
| C13 | C11 | C12 | H17 | 53.9° | 60.0° |
| C13 | C11 | C12 | H18 | 173.9° | 60.0° |
| C13 | C11 | C12 | H19 | 66.1° | 180.0° |
| C11 | C13 | H20 | H21 | 120.0° | 119.9° |
| C11 | C13 | H20 | H22 | 120.0° | 120.1° |
| C11 | C13 | H21 | H22 | 120.0° | 120.0° |
| H16 | C11 | C12 | H17 | 63.0° | 179.9° |
| H16 | C11 | C12 | H18 | 57.0° | 60.0° |
| H16 | C11 | C12 | H19 | 177.0° | 60.0° |
| H16 | C11 | C13 | H20 | 63.4° | 59.9° |
| H16 | C11 | C13 | H21 | 176.5° | 60.0° |
| H16 | C11 | C13 | H22 | 56.6° | 180.0° |
| H17 | C12 | H18 | H19 | 119.9° | 120.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.1° |
| C14 | N4 | H23 | C10 | 180.0° | 179.9° |
| N4 | C14 | C15 | C16 | 122.6° | 119.9° |
| N4 | C14 | C15 | H24 | 119.4° | 120.0° |
| N4 | C14 | C16 | H24 | 119.3° | 119.9° |
| N4 | C14 | C15 | O6 | 67.1° | 0.0° |
| N4 | C14 | C16 | C17 | 58.0° | 65.0° |
| N4 | C14 | C16 | H25 | 63.0° | 55.0° |
| N4 | C14 | C16 | H26 | 179.0° | 175.0° |
| N4 | C14 | C15 | N5 | 112.8° | 180.0° |
| H23 | N4 | C14 | C15 | 97.3° | 24.9° |
| H23 | N4 | C14 | C16 | 25.0° | 95.0° |
| H23 | N4 | C14 | H24 | 143.8° | 145.0° |
| C15 | C14 | C16 | H24 | 118.0° | 120.1° |
| C14 | C15 | O6 | N5 | 179.9° | 179.9° |
| C15 | C14 | C16 | C17 | 179.3° | 175.0° |
| C15 | C14 | C16 | H25 | 59.7° | 64.9° |
| C15 | C14 | C16 | H26 | 58.3° | 55.1° |
| C14 | C15 | N5 | C20 | 178.5° | 180.0° |
| C14 | C15 | N5 | H34 | 1.5° | 0.1° |
| C15 | C14 | N4 | C10 | 82.7° | 155.0° |
| C16 | C14 | C15 | O6 | 55.5° | 120.0° |
| C14 | C16 | C17 | H25 | 121.0° | 120.1° |
| C14 | C16 | C17 | H26 | 121.0° | 119.9° |
| C14 | C16 | H25 | H26 | 116.9° | 120.0° |
| C14 | C16 | C17 | C18 | 174.5° | 175.0° |
| C14 | C16 | C17 | C19 | 51.2° | 65.0° |
| C14 | C16 | C17 | H27 | 67.1° | 55.1° |
| C16 | C14 | N4 | C10 | 154.9° | 85.0° |
| C16 | C14 | C15 | N5 | 124.6° | 60.1° |
| H24 | C14 | C15 | O6 | 173.5° | 119.9° |
| H24 | C14 | C16 | C17 | 61.3° | 54.9° |
| H24 | C14 | C16 | H25 | 177.7° | 175.0° |
| H24 | C14 | C16 | H26 | 59.7° | 65.0° |
| H24 | C14 | N4 | C10 | 36.2° | 35.0° |
| H24 | C14 | C15 | N5 | 6.6° | 60.0° |
| O6 | C15 | N5 | C20 | 1.4° | 0.1° |
| O6 | C15 | N5 | H34 | 178.6° | 180.0° |
| C17 | C16 | H25 | H26 | 117.0° | 120.0° |
| C16 | C17 | C18 | C19 | 123.2° | 120.0° |
| C16 | C17 | C18 | H27 | 118.3° | 120.0° |
| C16 | C17 | C19 | H27 | 118.3° | 120.0° |
| C16 | C17 | C18 | H28 | 180.0° | 60.0° |
| C16 | C17 | C18 | H29 | 60.0° | 180.0° |
| C16 | C17 | C18 | H30 | 60.0° | 60.0° |
| C16 | C17 | C19 | H31 | 180.0° | 60.0° |
| C16 | C17 | C19 | H32 | 60.0° | 60.0° |
| C16 | C17 | C19 | H33 | 60.0° | 180.0° |
| H25 | C16 | C17 | C18 | 64.5° | 55.0° |
| H25 | C16 | C17 | C19 | 172.2° | 175.0° |
| H25 | C16 | C17 | H27 | 53.8° | 65.0° |
| H26 | C16 | C17 | C18 | 53.5° | 65.0° |
| H26 | C16 | C17 | C19 | 69.7° | 55.0° |
| H26 | C16 | C17 | H27 | 171.9° | 175.0° |
| C18 | C17 | C19 | H27 | 118.5° | 120.0° |
| C17 | C18 | H28 | H29 | 120.0° | 120.0° |
| C17 | C18 | H28 | H30 | 120.0° | 120.0° |
| C17 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | C17 | C19 | H31 | 56.8° | 60.0° |
| C18 | C17 | C19 | H32 | 63.2° | 180.0° |
| C18 | C17 | C19 | H33 | 176.8° | 60.0° |
| C19 | C17 | C18 | H28 | 56.8° | 60.0° |
| C19 | C17 | C18 | H29 | 176.8° | 60.0° |
| C19 | C17 | C18 | H30 | 63.2° | 180.0° |
| C17 | C19 | H31 | H32 | 120.0° | 120.0° |
| C17 | C19 | H31 | H33 | 120.0° | 120.0° |
| C17 | C19 | H32 | H33 | 120.0° | 120.0° |
| H27 | C17 | C18 | H28 | 61.7° | 180.0° |
| H27 | C17 | C18 | H29 | 58.3° | 60.0° |
| H27 | C17 | C18 | H30 | 178.3° | 60.0° |
| H27 | C17 | C19 | H31 | 61.7° | 180.0° |
| H27 | C17 | C19 | H32 | 178.3° | 60.0° |
| H27 | C17 | C19 | H33 | 58.3° | 60.0° |
| H28 | C18 | H29 | H30 | 119.9° | 120.0° |
| H31 | C19 | H32 | H33 | 120.0° | 120.0° |
| C20 | N5 | H34 | C15 | 180.0° | 179.9° |
| N5 | C20 | C21 | C25 | 123.7° | 120.0° |
| N5 | C20 | C21 | H35 | 117.8° | 119.9° |
| N5 | C20 | C25 | H35 | 116.8° | 119.9° |
| N5 | C20 | C21 | C22 | 71.3° | 65.0° |
| N5 | C20 | C21 | H36 | 49.3° | 55.0° |
| N5 | C20 | C21 | H37 | 168.0° | 175.0° |
| N5 | C20 | C25 | O7 | 144.6° | 0.0° |
| N5 | C20 | C25 | H42 | 35.4° | 180.0° |
| H34 | N5 | C20 | C21 | 19.2° | 25.0° |
| H34 | N5 | C20 | C25 | 107.4° | 95.0° |
| H34 | N5 | C20 | H35 | 136.5° | 145.0° |
| C21 | C20 | C25 | H35 | 118.7° | 120.1° |
| C20 | C21 | C22 | H36 | 120.6° | 120.1° |
| C20 | C21 | C22 | H37 | 120.7° | 120.0° |
| C20 | C21 | H36 | H37 | 118.0° | 120.0° |
| C20 | C21 | C22 | N6 | 133.3° | 95.0° |
| C20 | C21 | C22 | C23 | 48.1° | 85.2° |
| C21 | C20 | C25 | O7 | 20.2° | 120.0° |
| C21 | C20 | C25 | H42 | 159.8° | 60.0° |
| C21 | C20 | N5 | C15 | 160.8° | 155.0° |
| C25 | C20 | C21 | C22 | 165.0° | 175.0° |
| C25 | C20 | C21 | H36 | 74.4° | 65.0° |
| C25 | C20 | C21 | H37 | 44.4° | 55.0° |
| C20 | C25 | O7 | H42 | 180.0° | 180.0° |
| C25 | C20 | N5 | C15 | 72.6° | 85.0° |
| H35 | C20 | C21 | C22 | 46.5° | 54.9° |
| H35 | C20 | C21 | H36 | 167.1° | 175.0° |
| H35 | C20 | C21 | H37 | 74.2° | 65.0° |
| H35 | C20 | C25 | O7 | 98.5° | 120.0° |
| H35 | C20 | C25 | H42 | 81.5° | 60.1° |
| H35 | C20 | N5 | C15 | 43.5° | 35.0° |
| C22 | C21 | H36 | H37 | 118.0° | 119.9° |
| C21 | C22 | N6 | C23 | 178.9° | 179.8° |
| C21 | C22 | N6 | C24 | 178.4° | 180.0° |
| C21 | C22 | N6 | H38 | 1.6° | 0.1° |
| C21 | C22 | C23 | N7 | 178.4° | 180.0° |
| C21 | C22 | C23 | H39 | 1.6° | 0.1° |
| H36 | C21 | C22 | N6 | 12.7° | 25.0° |
| H36 | C21 | C22 | C23 | 168.7° | 154.7° |
| H37 | C21 | C22 | N6 | 106.1° | 145.0° |
| H37 | C21 | C22 | C23 | 72.6° | 34.7° |
| C22 | N6 | C24 | H38 | 180.0° | 179.9° |
| N6 | C22 | C23 | N7 | 0.4° | 0.2° |
| N6 | C22 | C23 | H39 | 179.6° | 179.7° |
| C22 | N6 | C24 | N7 | 0.5° | 0.2° |
| C22 | N6 | C24 | H40 | 179.5° | 180.0° |
| C23 | C22 | N6 | C24 | 0.5° | 0.2° |
| C23 | C22 | N6 | H38 | 179.5° | 179.8° |
| C22 | C23 | N7 | H39 | 180.0° | 179.9° |
| C22 | C23 | N7 | C24 | 0.1° | 0.1° |
| C22 | C23 | N7 | H41 | 179.9° | 180.0° |
| N6 | C24 | N7 | C23 | 0.2° | 0.0° |
| N6 | C24 | N7 | H40 | 180.0° | 179.8° |
| N6 | C24 | N7 | H41 | 179.8° | 179.8° |
| H38 | N6 | C24 | N7 | 179.5° | 179.9° |
| H38 | N6 | C24 | H40 | 0.5° | 0.1° |
| C23 | N7 | C24 | H41 | 180.0° | 179.9° |
| C23 | N7 | C24 | H40 | 179.8° | 179.9° |
| H39 | C23 | N7 | C24 | 179.8° | 179.8° |
| H39 | C23 | N7 | H41 | 0.1° | 0.1° |
| H40 | C24 | N7 | H41 | 0.2° | 0.0° |
