PRD_000558
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | C3 | sing | 1.53Å | 1.57Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.10Å | |
| C2 | O2 | sing | 1.34Å | 1.26Å | |
| C3 | C4 | sing | 1.51Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.44Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| N2 | C10 | sing | 1.39Å | 1.37Å | |
| N2 | C11 | sing | 1.47Å | 1.47Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C10 | N3 | doub | 1.30Å | 1.34Å | |
| C10 | N4 | sing | 1.39Å | 1.38Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | N4 | sing | 1.47Å | 1.51Å | |
| C12 | C14 | sing | 1.53Å | 1.56Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | C14 | sing | 1.47Å | 1.47Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | doub | 1.21Å | 1.24Å | |
| C16 | O4 | doub | 1.22Å | 1.25Å | |
| N5 | C16 | sing | 1.35Å | 1.32Å | |
| N6 | C17 | sing | 1.46Å | 1.48Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.57Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.25Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| N7 | C23 | sing | 1.47Å | 1.52Å | |
| N7 | H32 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.57Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | O6 | doub | 1.21Å | 1.63Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.45Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.38Å | 1.43Å | Aromatic |
| C30 | H40 | sing | 1.08Å | 1.08Å | |
| C31 | H41 | sing | 1.08Å | 1.08Å | |
| N1 | C16 | sing | 1.35Å | 1.33Å | |
| C15 | N6 | sing | 1.35Å | 1.32Å | |
| C18 | N7 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 124.3° | 120.0° |
| N1 | C1 | C2 | 102.6° | 109.5° |
| N1 | C1 | C3 | 104.9° | 109.5° |
| N1 | C1 | H2 | 111.2° | 109.5° |
| C1 | N1 | C16 | 111.4° | 120.0° |
| H1 | N1 | C16 | 124.3° | 120.0° |
| C2 | C1 | C3 | 117.2° | 109.5° |
| C2 | C1 | H2 | 110.4° | 109.4° |
| C1 | C2 | O1 | 121.3° | 120.0° |
| C1 | C2 | O2 | 120.1° | 120.0° |
| C3 | C1 | H2 | 110.2° | 109.5° |
| C1 | C3 | C4 | 121.9° | 109.5° |
| C1 | C3 | H3 | 106.3° | 109.4° |
| C1 | C3 | H4 | 106.3° | 109.4° |
| O1 | C2 | O2 | 118.6° | 120.0° |
| C2 | O2 | H10 | 109.5° | 117.0° |
| C4 | C3 | H3 | 106.3° | 109.5° |
| C4 | C3 | H4 | 106.3° | 109.5° |
| C3 | C4 | C5 | 123.2° | 120.0° |
| C3 | C4 | C6 | 117.9° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | C6 | 118.9° | 120.0° |
| C4 | C5 | C7 | 120.4° | 120.0° |
| C4 | C5 | H5 | 119.8° | 119.9° |
| C4 | C6 | C8 | 120.7° | 120.0° |
| C4 | C6 | H6 | 119.7° | 120.0° |
| C7 | C5 | H5 | 119.8° | 120.0° |
| C5 | C7 | C9 | 120.1° | 120.0° |
| C5 | C7 | H7 | 119.9° | 120.0° |
| C8 | C6 | H6 | 119.7° | 120.0° |
| C6 | C8 | C9 | 120.0° | 120.0° |
| C6 | C8 | H8 | 120.0° | 120.0° |
| C9 | C7 | H7 | 120.0° | 120.0° |
| C7 | C9 | C8 | 120.0° | 120.0° |
| C7 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.1° |
| C8 | C9 | H9 | 120.0° | 119.9° |
| C10 | N2 | C11 | 121.7° | 117.4° |
| C10 | N2 | H11 | 119.2° | 121.2° |
| N2 | C10 | N3 | 122.6° | 121.8° |
| N2 | C10 | N4 | 123.8° | 116.4° |
| C11 | N2 | H11 | 119.1° | 121.4° |
| N2 | C11 | C13 | 110.5° | 108.7° |
| N2 | C11 | H12 | 109.2° | 109.6° |
| N2 | C11 | H13 | 109.2° | 109.6° |
| N3 | C10 | N4 | 113.6° | 121.8° |
| C10 | N3 | H14 | 112.0° | 120.0° |
| C10 | N4 | C12 | 115.0° | 117.5° |
| C10 | N4 | H18 | 122.5° | 121.2° |
| C13 | C11 | H12 | 109.2° | 109.6° |
| C13 | C11 | H13 | 109.2° | 109.6° |
| C11 | C13 | C12 | 108.0° | 109.2° |
| C11 | C13 | H16 | 109.8° | 109.5° |
| C11 | C13 | H17 | 109.8° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.7° |
| C13 | C12 | N4 | 113.6° | 108.6° |
| C13 | C12 | C14 | 112.6° | 109.6° |
| C13 | C12 | H15 | 107.3° | 109.6° |
| C12 | C13 | H16 | 109.9° | 109.5° |
| C12 | C13 | H17 | 109.8° | 109.5° |
| N4 | C12 | C14 | 108.3° | 109.6° |
| N4 | C12 | H15 | 107.6° | 109.6° |
| C12 | N4 | H18 | 122.5° | 121.3° |
| C14 | C12 | H15 | 107.1° | 109.8° |
| C12 | C14 | N5 | 110.7° | 109.5° |
| C12 | C14 | C15 | 106.9° | 109.5° |
| C12 | C14 | H20 | 108.8° | 109.5° |
| H16 | C13 | H17 | 109.4° | 109.6° |
| C14 | N5 | H19 | 118.6° | 120.0° |
| N5 | C14 | C15 | 111.3° | 109.4° |
| N5 | C14 | H20 | 109.9° | 109.4° |
| C14 | N5 | C16 | 122.9° | 120.0° |
| H19 | N5 | C16 | 118.5° | 120.0° |
| C15 | C14 | H20 | 109.2° | 109.5° |
| C14 | C15 | O3 | 121.1° | 120.0° |
| C14 | C15 | N6 | 113.1° | 120.0° |
| O3 | C15 | N6 | 125.8° | 120.0° |
| O4 | C16 | N5 | 117.8° | 120.0° |
| O4 | C16 | N1 | 121.7° | 120.0° |
| N5 | C16 | N1 | 120.5° | 120.0° |
| C17 | N6 | H21 | 116.8° | 120.0° |
| N6 | C17 | C18 | 117.2° | 109.5° |
| N6 | C17 | C19 | 108.1° | 109.5° |
| N6 | C17 | H22 | 109.3° | 109.4° |
| C17 | N6 | C15 | 126.5° | 120.0° |
| H21 | N6 | C15 | 116.8° | 120.0° |
| C18 | C17 | C19 | 105.4° | 109.5° |
| C18 | C17 | H22 | 108.2° | 109.5° |
| C17 | C18 | O5 | 121.7° | 120.0° |
| C17 | C18 | N7 | 120.0° | 120.0° |
| C19 | C17 | H22 | 108.4° | 109.5° |
| C17 | C19 | C20 | 114.2° | 109.5° |
| C17 | C19 | H23 | 108.3° | 109.4° |
| C17 | C19 | H24 | 108.3° | 109.5° |
| O5 | C18 | N7 | 118.3° | 120.0° |
| C20 | C19 | H23 | 108.2° | 109.5° |
| C20 | C19 | H24 | 108.3° | 109.5° |
| C19 | C20 | C21 | 112.8° | 109.5° |
| C19 | C20 | C22 | 113.3° | 109.5° |
| C19 | C20 | H25 | 108.4° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| C21 | C20 | C22 | 105.2° | 109.5° |
| C21 | C20 | H25 | 108.5° | 109.5° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.5° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C22 | C20 | H25 | 108.5° | 109.5° |
| C20 | C22 | H29 | 109.5° | 109.5° |
| C20 | C22 | H30 | 109.5° | 109.5° |
| C20 | C22 | H31 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.4° |
| H26 | C21 | H28 | 109.4° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H31 | 109.5° | 109.4° |
| H30 | C22 | H31 | 109.4° | 109.4° |
| C23 | N7 | H32 | 118.4° | 120.0° |
| N7 | C23 | C24 | 108.1° | 109.5° |
| N7 | C23 | C25 | 109.9° | 109.5° |
| N7 | C23 | H33 | 108.6° | 109.5° |
| C23 | N7 | C18 | 123.1° | 120.0° |
| H32 | N7 | C18 | 118.4° | 120.0° |
| C24 | C23 | C25 | 113.3° | 109.4° |
| C24 | C23 | H33 | 108.1° | 109.5° |
| C23 | C24 | O6 | 126.6° | 120.0° |
| C23 | C24 | H34 | 116.7° | 120.0° |
| C25 | C23 | H33 | 108.7° | 109.5° |
| C23 | C25 | C26 | 111.6° | 109.5° |
| C23 | C25 | H35 | 109.0° | 109.5° |
| C23 | C25 | H36 | 108.9° | 109.5° |
| O6 | C24 | H34 | 116.7° | 120.0° |
| C26 | C25 | H35 | 108.9° | 109.4° |
| C26 | C25 | H36 | 109.0° | 109.4° |
| C25 | C26 | C27 | 117.6° | 120.0° |
| C25 | C26 | C28 | 121.9° | 120.0° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| C27 | C26 | C28 | 120.5° | 120.0° |
| C26 | C27 | C29 | 120.3° | 120.0° |
| C26 | C27 | H37 | 119.9° | 120.0° |
| C26 | C28 | C30 | 119.3° | 120.0° |
| C26 | C28 | H38 | 120.3° | 120.0° |
| C29 | C27 | H37 | 119.9° | 120.0° |
| C27 | C29 | C31 | 119.8° | 120.0° |
| C27 | C29 | H39 | 120.1° | 120.0° |
| C30 | C28 | H38 | 120.4° | 120.0° |
| C28 | C30 | C31 | 119.3° | 120.0° |
| C28 | C30 | H40 | 120.3° | 120.0° |
| C31 | C29 | H39 | 120.1° | 120.0° |
| C29 | C31 | C30 | 120.9° | 120.0° |
| C29 | C31 | H41 | 119.6° | 120.0° |
| C31 | C30 | H40 | 120.4° | 120.0° |
| C30 | C31 | H41 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C16 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 114.2° | 120.0° |
| N1 | C1 | C2 | H2 | 118.6° | 120.0° |
| N1 | C1 | C3 | H2 | 119.8° | 120.1° |
| N1 | C1 | C2 | O1 | 132.9° | 0.0° |
| N1 | C1 | C2 | O2 | 47.6° | 180.0° |
| N1 | C1 | C3 | C4 | 47.8° | 65.0° |
| N1 | C1 | C3 | H3 | 169.6° | 55.0° |
| N1 | C1 | C3 | H4 | 73.9° | 174.9° |
| C1 | N1 | C16 | O4 | 0.5° | 0.1° |
| C1 | N1 | C16 | N5 | 179.1° | 180.0° |
| H1 | N1 | C1 | C2 | 65.0° | 95.0° |
| H1 | N1 | C1 | C3 | 57.9° | 25.0° |
| H1 | N1 | C1 | H2 | 177.0° | 145.0° |
| H1 | N1 | C16 | O4 | 179.5° | 179.7° |
| H1 | N1 | C16 | N5 | 0.8° | 0.2° |
| C2 | C1 | C3 | H2 | 127.3° | 120.0° |
| C1 | C2 | O1 | O2 | 179.5° | 180.0° |
| C2 | C1 | C3 | C4 | 65.1° | 175.0° |
| C2 | C1 | C3 | H3 | 56.6° | 65.0° |
| C2 | C1 | C3 | H4 | 173.2° | 55.0° |
| C1 | C2 | O2 | H10 | 179.5° | 180.0° |
| C2 | C1 | N1 | C16 | 115.0° | 84.8° |
| C3 | C1 | C2 | O1 | 18.7° | 120.0° |
| C3 | C1 | C2 | O2 | 161.8° | 60.0° |
| C1 | C3 | C4 | H3 | 121.7° | 119.9° |
| C1 | C3 | C4 | H4 | 121.7° | 120.0° |
| C1 | C3 | H3 | H4 | 114.4° | 119.9° |
| C1 | C3 | C4 | C5 | 25.8° | 89.9° |
| C1 | C3 | C4 | C6 | 154.6° | 90.3° |
| C3 | C1 | N1 | C16 | 122.1° | 155.2° |
| H2 | C1 | C2 | O1 | 108.5° | 120.0° |
| H2 | C1 | C2 | O2 | 71.0° | 59.9° |
| H2 | C1 | C3 | C4 | 167.6° | 55.1° |
| H2 | C1 | C3 | H3 | 70.7° | 175.0° |
| H2 | C1 | C3 | H4 | 45.9° | 65.0° |
| H2 | C1 | N1 | C16 | 3.0° | 35.2° |
| O1 | C2 | O2 | H10 | 0.0° | 0.1° |
| C4 | C3 | H3 | H4 | 114.4° | 120.1° |
| C3 | C4 | C5 | C6 | 179.6° | 179.8° |
| C3 | C4 | C5 | C7 | 179.6° | 179.9° |
| C3 | C4 | C5 | H5 | 0.3° | 0.0° |
| C3 | C4 | C6 | C8 | 179.7° | 179.9° |
| C3 | C4 | C6 | H6 | 0.2° | 0.0° |
| H3 | C3 | C4 | C5 | 95.9° | 30.0° |
| H3 | C3 | C4 | C6 | 83.7° | 149.8° |
| H4 | C3 | C4 | C5 | 147.5° | 150.0° |
| H4 | C3 | C4 | C6 | 32.9° | 29.7° |
| C4 | C5 | C7 | H5 | 180.0° | 179.9° |
| C5 | C4 | C6 | C8 | 0.1° | 0.3° |
| C5 | C4 | C6 | H6 | 179.9° | 179.7° |
| C4 | C5 | C7 | C9 | 0.0° | 0.1° |
| C4 | C5 | C7 | H7 | 180.0° | 180.0° |
| C6 | C4 | C5 | C7 | 0.0° | 0.3° |
| C6 | C4 | C5 | H5 | 179.9° | 179.8° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.1° | 0.1° |
| C4 | C6 | C8 | H8 | 179.9° | 179.9° |
| C5 | C7 | C9 | H7 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 0.0° | 0.2° |
| C5 | C7 | C9 | H9 | 180.0° | 180.0° |
| H5 | C5 | C7 | C9 | 180.0° | 180.0° |
| H5 | C5 | C7 | H7 | 0.0° | 0.1° |
| C6 | C8 | C9 | C7 | 0.0° | 0.2° |
| C6 | C8 | C9 | H8 | 180.0° | 179.9° |
| C6 | C8 | C9 | H9 | 179.9° | 180.0° |
| H6 | C6 | C8 | C9 | 179.9° | 180.0° |
| H6 | C6 | C8 | H8 | 0.1° | 0.1° |
| C7 | C9 | C8 | H9 | 180.0° | 179.8° |
| C7 | C9 | C8 | H8 | 180.0° | 179.7° |
| H7 | C7 | C9 | C8 | 180.0° | 179.8° |
| H7 | C7 | C9 | H9 | 0.0° | 0.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.1° |
| C10 | N2 | C11 | H11 | 180.0° | 179.7° |
| N2 | C10 | N3 | N4 | 179.3° | 179.9° |
| C10 | N2 | C11 | C13 | 34.9° | 49.6° |
| C10 | N2 | C11 | H12 | 85.2° | 70.2° |
| C10 | N2 | C11 | H13 | 155.1° | 169.4° |
| N2 | C10 | N3 | H14 | 179.3° | 180.0° |
| N2 | C10 | N4 | C12 | 13.3° | 42.7° |
| N2 | C10 | N4 | H18 | 166.7° | 137.4° |
| C11 | N2 | C10 | N3 | 166.8° | 137.2° |
| C11 | N2 | C10 | N4 | 14.0° | 42.7° |
| N2 | C11 | C13 | H12 | 120.2° | 119.8° |
| N2 | C11 | C13 | H13 | 120.2° | 119.8° |
| N2 | C11 | H12 | H13 | 119.5° | 120.4° |
| N2 | C11 | C13 | C12 | 53.1° | 55.8° |
| N2 | C11 | C13 | H16 | 172.9° | 175.7° |
| N2 | C11 | C13 | H17 | 66.7° | 64.1° |
| H11 | N2 | C10 | N3 | 13.2° | 42.5° |
| H11 | N2 | C10 | N4 | 166.1° | 137.6° |
| H11 | N2 | C11 | C13 | 145.1° | 130.7° |
| H11 | N2 | C11 | H12 | 94.7° | 109.5° |
| H11 | N2 | C11 | H13 | 24.9° | 10.9° |
| N3 | C10 | N4 | C12 | 167.4° | 137.2° |
| N3 | C10 | N4 | H18 | 12.6° | 42.8° |
| N4 | C10 | N3 | H14 | 0.0° | 0.2° |
| C10 | N4 | C12 | C13 | 34.7° | 49.6° |
| C10 | N4 | C12 | H18 | 180.0° | 180.0° |
| C10 | N4 | C12 | C14 | 160.7° | 169.3° |
| C10 | N4 | C12 | H15 | 83.9° | 70.1° |
| C13 | C11 | H12 | H13 | 119.5° | 120.4° |
| C11 | C13 | C12 | H16 | 119.8° | 119.9° |
| C11 | C13 | C12 | H17 | 119.8° | 119.9° |
| C11 | C13 | C12 | N4 | 55.1° | 55.8° |
| C11 | C13 | C12 | C14 | 178.7° | 175.5° |
| C11 | C13 | C12 | H15 | 63.7° | 64.0° |
| C11 | C13 | H16 | H17 | 120.7° | 120.1° |
| H12 | C11 | C13 | C12 | 67.0° | 64.0° |
| H12 | C11 | C13 | H16 | 52.7° | 56.0° |
| H12 | C11 | C13 | H17 | 173.2° | 176.1° |
| H13 | C11 | C13 | C12 | 173.3° | 175.6° |
| H13 | C11 | C13 | H16 | 66.9° | 64.5° |
| H13 | C11 | C13 | H17 | 53.5° | 55.7° |
| C13 | C12 | N4 | C14 | 125.9° | 119.7° |
| C13 | C12 | N4 | H15 | 118.6° | 119.7° |
| C13 | C12 | C14 | H15 | 117.7° | 120.4° |
| C12 | C13 | H16 | H17 | 120.7° | 120.2° |
| C13 | C12 | N4 | H18 | 145.3° | 130.4° |
| C13 | C12 | C14 | N5 | 67.4° | 62.3° |
| C13 | C12 | C14 | C15 | 54.0° | 177.7° |
| C13 | C12 | C14 | H20 | 171.7° | 57.7° |
| N4 | C12 | C14 | H15 | 115.8° | 120.5° |
| N4 | C12 | C13 | H16 | 174.9° | 175.7° |
| N4 | C12 | C13 | H17 | 64.7° | 64.1° |
| N4 | C12 | C14 | N5 | 59.1° | 178.5° |
| N4 | C12 | C14 | C15 | 179.5° | 58.5° |
| N4 | C12 | C14 | H20 | 61.8° | 61.5° |
| C14 | C12 | C13 | H16 | 61.5° | 64.5° |
| C14 | C12 | C13 | H17 | 58.9° | 55.7° |
| C14 | C12 | N4 | H18 | 19.3° | 10.7° |
| C12 | C14 | N5 | C15 | 118.7° | 120.0° |
| C12 | C14 | N5 | H20 | 120.2° | 120.1° |
| C12 | C14 | N5 | H19 | 94.0° | 94.9° |
| C12 | C14 | C15 | H20 | 117.5° | 120.0° |
| C12 | C14 | C15 | O3 | 95.9° | 98.2° |
| C12 | C14 | N5 | C16 | 86.0° | 85.0° |
| C12 | C14 | C15 | N6 | 82.6° | 81.8° |
| H15 | C12 | C13 | H16 | 56.1° | 56.0° |
| H15 | C12 | C13 | H17 | 176.5° | 176.2° |
| H15 | C12 | N4 | H18 | 96.1° | 109.9° |
| H15 | C12 | C14 | N5 | 174.9° | 58.0° |
| H15 | C12 | C14 | C15 | 63.7° | 61.9° |
| H15 | C12 | C14 | H20 | 54.0° | 178.1° |
| C14 | N5 | H19 | C16 | 180.0° | 179.9° |
| N5 | C14 | C15 | H20 | 121.5° | 119.9° |
| N5 | C14 | C15 | O3 | 25.1° | 21.8° |
| C14 | N5 | C16 | O4 | 0.3° | 0.0° |
| C14 | N5 | C16 | N1 | 179.4° | 179.9° |
| N5 | C14 | C15 | N6 | 156.4° | 158.2° |
| H19 | N5 | C14 | C15 | 24.7° | 25.0° |
| H19 | N5 | C14 | H20 | 145.8° | 145.0° |
| H19 | N5 | C16 | O4 | 179.7° | 179.9° |
| H19 | N5 | C16 | N1 | 0.6° | 0.0° |
| C14 | C15 | O3 | N6 | 178.3° | 180.0° |
| C15 | C14 | N5 | C16 | 155.3° | 155.0° |
| C14 | C15 | N6 | C17 | 178.0° | 175.9° |
| C14 | C15 | N6 | H21 | 2.0° | 4.0° |
| H20 | C14 | C15 | O3 | 146.6° | 141.7° |
| H20 | C14 | N5 | C16 | 34.2° | 35.0° |
| H20 | C14 | C15 | N6 | 34.9° | 38.3° |
| O3 | C15 | N6 | C17 | 0.5° | 4.1° |
| O3 | C15 | N6 | H21 | 179.5° | 176.0° |
| O4 | C16 | N5 | N1 | 179.7° | 179.9° |
| C17 | N6 | H21 | C15 | 180.0° | 179.9° |
| N6 | C17 | C18 | C19 | 120.2° | 120.0° |
| N6 | C17 | C18 | H22 | 124.0° | 119.9° |
| N6 | C17 | C19 | H22 | 118.3° | 120.0° |
| N6 | C17 | C18 | O5 | 132.1° | 21.2° |
| N6 | C17 | C19 | C20 | 53.6° | 179.5° |
| N6 | C17 | C19 | H23 | 67.1° | 60.5° |
| N6 | C17 | C19 | H24 | 174.3° | 59.5° |
| N6 | C17 | C18 | N7 | 46.8° | 158.8° |
| H21 | N6 | C17 | C18 | 142.5° | 22.4° |
| H21 | N6 | C17 | C19 | 98.6° | 97.6° |
| H21 | N6 | C17 | H22 | 19.1° | 142.4° |
| C18 | C17 | C19 | H22 | 115.6° | 120.0° |
| C17 | C18 | O5 | N7 | 179.0° | 180.0° |
| C18 | C17 | C19 | C20 | 179.7° | 59.5° |
| C18 | C17 | C19 | H23 | 59.0° | 179.5° |
| C18 | C17 | C19 | H24 | 59.7° | 60.5° |
| C17 | C18 | N7 | C23 | 179.1° | 173.5° |
| C17 | C18 | N7 | H32 | 1.0° | 6.5° |
| C18 | C17 | N6 | C15 | 37.5° | 157.7° |
| C19 | C17 | C18 | O5 | 11.9° | 98.9° |
| C17 | C19 | C20 | H23 | 120.7° | 120.0° |
| C17 | C19 | C20 | H24 | 120.7° | 120.0° |
| C17 | C19 | H23 | H24 | 117.9° | 120.0° |
| C17 | C19 | C20 | C21 | 179.0° | 66.7° |
| C17 | C19 | C20 | C22 | 61.6° | 173.3° |
| C17 | C19 | C20 | H25 | 58.8° | 53.3° |
| C19 | C17 | N6 | C15 | 81.4° | 82.3° |
| C19 | C17 | C18 | N7 | 167.0° | 81.2° |
| H22 | C17 | C18 | O5 | 103.9° | 141.1° |
| H22 | C17 | C19 | C20 | 64.7° | 60.5° |
| H22 | C17 | C19 | H23 | 174.6° | 59.5° |
| H22 | C17 | C19 | H24 | 56.0° | 179.5° |
| H22 | C17 | N6 | C15 | 160.9° | 37.7° |
| H22 | C17 | C18 | N7 | 77.2° | 38.9° |
| O5 | C18 | N7 | C23 | 0.1° | 6.5° |
| O5 | C18 | N7 | H32 | 179.9° | 173.5° |
| C20 | C19 | H23 | H24 | 117.8° | 120.0° |
| C19 | C20 | C21 | C22 | 124.0° | 120.0° |
| C19 | C20 | C21 | H25 | 120.1° | 120.0° |
| C19 | C20 | C22 | H25 | 120.4° | 120.0° |
| C19 | C20 | C21 | H26 | 180.0° | 63.7° |
| C19 | C20 | C21 | H27 | 60.0° | 176.3° |
| C19 | C20 | C21 | H28 | 60.0° | 56.3° |
| C19 | C20 | C22 | H29 | 180.0° | 60.0° |
| C19 | C20 | C22 | H30 | 60.0° | 180.0° |
| C19 | C20 | C22 | H31 | 60.0° | 60.0° |
| H23 | C19 | C20 | C21 | 58.3° | 53.3° |
| H23 | C19 | C20 | C22 | 177.7° | 66.7° |
| H23 | C19 | C20 | H25 | 61.9° | 173.2° |
| H24 | C19 | C20 | C21 | 60.3° | 173.3° |
| H24 | C19 | C20 | C22 | 59.1° | 53.3° |
| H24 | C19 | C20 | H25 | 179.5° | 66.7° |
| C21 | C20 | C22 | H25 | 115.9° | 120.0° |
| C20 | C21 | H26 | H27 | 120.0° | 120.0° |
| C20 | C21 | H26 | H28 | 120.0° | 120.1° |
| C20 | C21 | H27 | H28 | 120.0° | 120.0° |
| C21 | C20 | C22 | H29 | 56.3° | 180.0° |
| C21 | C20 | C22 | H30 | 63.7° | 60.0° |
| C21 | C20 | C22 | H31 | 176.3° | 60.0° |
| C22 | C20 | C21 | H26 | 56.0° | 56.3° |
| C22 | C20 | C21 | H27 | 176.0° | 63.7° |
| C22 | C20 | C21 | H28 | 64.0° | 176.3° |
| C20 | C22 | H29 | H30 | 120.0° | 120.0° |
| C20 | C22 | H29 | H31 | 120.0° | 120.0° |
| C20 | C22 | H30 | H31 | 120.0° | 120.1° |
| H25 | C20 | C21 | H26 | 59.9° | 176.3° |
| H25 | C20 | C21 | H27 | 60.1° | 56.3° |
| H25 | C20 | C21 | H28 | 179.9° | 63.7° |
| H25 | C20 | C22 | H29 | 59.6° | 60.0° |
| H25 | C20 | C22 | H30 | 179.6° | 60.0° |
| H25 | C20 | C22 | H31 | 60.4° | 180.0° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
| H29 | C22 | H30 | H31 | 120.0° | 119.9° |
| C23 | N7 | H32 | C18 | 180.0° | 180.0° |
| N7 | C23 | C24 | C25 | 122.0° | 120.0° |
| N7 | C23 | C24 | H33 | 117.4° | 120.0° |
| N7 | C23 | C25 | H33 | 118.8° | 120.0° |
| N7 | C23 | C24 | O6 | 133.4° | 0.0° |
| N7 | C23 | C24 | H34 | 46.6° | 180.0° |
| N7 | C23 | C25 | C26 | 51.8° | 65.0° |
| N7 | C23 | C25 | H35 | 68.5° | 54.9° |
| N7 | C23 | C25 | H36 | 172.1° | 175.0° |
| H32 | N7 | C23 | C24 | 122.2° | 95.0° |
| H32 | N7 | C23 | C25 | 1.9° | 24.9° |
| H32 | N7 | C23 | H33 | 120.8° | 144.9° |
| C24 | C23 | C25 | H33 | 120.2° | 120.0° |
| C23 | C24 | O6 | H34 | 180.0° | 180.0° |
| C24 | C23 | C25 | C26 | 172.8° | 175.0° |
| C24 | C23 | C25 | H35 | 52.5° | 65.0° |
| C24 | C23 | C25 | H36 | 66.8° | 55.1° |
| C24 | C23 | N7 | C18 | 57.8° | 85.0° |
| C25 | C23 | C24 | O6 | 11.4° | 120.0° |
| C25 | C23 | C24 | H34 | 168.6° | 60.0° |
| C23 | C25 | C26 | H35 | 120.3° | 120.0° |
| C23 | C25 | C26 | H36 | 120.3° | 120.0° |
| C23 | C25 | H35 | H36 | 119.0° | 120.1° |
| C23 | C25 | C26 | C27 | 119.6° | 90.0° |
| C23 | C25 | C26 | C28 | 60.2° | 90.3° |
| C25 | C23 | N7 | C18 | 178.1° | 155.0° |
| H33 | C23 | C24 | O6 | 109.2° | 120.0° |
| H33 | C23 | C24 | H34 | 70.8° | 60.0° |
| H33 | C23 | C25 | C26 | 67.0° | 55.0° |
| H33 | C23 | C25 | H35 | 172.7° | 175.0° |
| H33 | C23 | C25 | H36 | 53.4° | 64.9° |
| H33 | C23 | N7 | C18 | 59.3° | 35.0° |
| C26 | C25 | H35 | H36 | 119.0° | 119.9° |
| C25 | C26 | C27 | C28 | 179.8° | 179.7° |
| C25 | C26 | C27 | C29 | 179.8° | 180.0° |
| C25 | C26 | C27 | H37 | 0.2° | 0.0° |
| C25 | C26 | C28 | C30 | 179.8° | 179.9° |
| C25 | C26 | C28 | H38 | 0.2° | 0.0° |
| H35 | C25 | C26 | C27 | 0.7° | 30.0° |
| H35 | C25 | C26 | C28 | 179.5° | 149.7° |
| H36 | C25 | C26 | C27 | 120.1° | 150.0° |
| H36 | C25 | C26 | C28 | 60.1° | 29.7° |
| C26 | C27 | C29 | H37 | 180.0° | 179.9° |
| C27 | C26 | C28 | C30 | 0.1° | 0.4° |
| C27 | C26 | C28 | H38 | 179.9° | 179.7° |
| C26 | C27 | C29 | C31 | 0.0° | 0.1° |
| C26 | C27 | C29 | H39 | 180.0° | 179.9° |
| C28 | C26 | C27 | C29 | 0.0° | 0.3° |
| C28 | C26 | C27 | H37 | 180.0° | 179.7° |
| C26 | C28 | C30 | H38 | 180.0° | 179.9° |
| C26 | C28 | C30 | C31 | 0.1° | 0.1° |
| C26 | C28 | C30 | H40 | 179.9° | 180.0° |
| C27 | C29 | C31 | H39 | 180.0° | 180.0° |
| C27 | C29 | C31 | C30 | 0.0° | 0.1° |
| C27 | C29 | C31 | H41 | 180.0° | 180.0° |
| H37 | C27 | C29 | C31 | 180.0° | 180.0° |
| H37 | C27 | C29 | H39 | 0.0° | 0.0° |
| C28 | C30 | C31 | C29 | 0.0° | 0.1° |
| C28 | C30 | C31 | H40 | 180.0° | 179.8° |
| C28 | C30 | C31 | H41 | 180.0° | 180.0° |
| H38 | C28 | C30 | C31 | 179.9° | 180.0° |
| H38 | C28 | C30 | H40 | 0.1° | 0.1° |
| C29 | C31 | C30 | H41 | 180.0° | 179.9° |
| C29 | C31 | C30 | H40 | 179.9° | 179.7° |
| H39 | C29 | C31 | C30 | 180.0° | 179.8° |
| H39 | C29 | C31 | H41 | 0.0° | 0.1° |
| H40 | C30 | C31 | H41 | 0.1° | 0.2° |
