Q2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.37Å | |
| C | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.37Å | Aromatic |
| C3 | N3 | sing | 1.35Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.34Å | Aromatic |
| C1 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N2 | sing | 1.33Å | 1.38Å | Aromatic |
| C2 | N4 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.42Å | Aromatic |
| N4 | C5 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.55Å | 1.58Å | |
| C5 | O4 | sing | 1.44Å | 1.40Å | |
| C6 | C7 | sing | 1.55Å | 1.54Å | |
| C6 | O | sing | 1.43Å | 1.38Å | |
| C7 | C8 | sing | 1.55Å | 1.56Å | |
| C7 | O1 | sing | 1.43Å | 1.38Å | |
| O4 | C8 | sing | 1.44Å | 1.41Å | |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| C29 | N5 | sing | 1.47Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C9 | N5 | sing | 1.47Å | 1.52Å | |
| N7 | C31 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| N5 | C10 | sing | 1.47Å | 1.49Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C32 | O3 | doub | 1.21Å | 1.21Å | |
| C32 | O2 | sing | 1.34Å | 1.34Å | |
| C11 | C12 | sing | 1.54Å | 1.57Å | |
| C11 | C28 | sing | 1.54Å | 1.52Å | |
| C12 | N6 | sing | 1.48Å | 1.50Å | |
| C28 | N6 | sing | 1.48Å | 1.51Å | |
| N6 | C13 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| O2 | H39 | sing | 0.97Å | 0.95Å | |
| C31 | H4 | sing | 1.09Å | 1.10Å | |
| N7 | H40 | sing | 1.01Å | 1.00Å | |
| N7 | H42 | sing | 1.01Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 119.1° | 120.8° |
| N | C | C3 | 121.2° | 120.8° |
| C | N | H5 | 109.5° | 120.0° |
| C | N | H6 | 109.5° | 120.0° |
| N1 | C | C3 | 119.7° | 118.5° |
| C | N1 | C1 | 117.9° | 121.2° |
| C | C3 | N3 | 132.5° | 134.7° |
| C | C3 | C2 | 116.5° | 118.2° |
| N1 | C1 | N2 | 128.5° | 122.4° |
| N1 | C1 | H7 | 115.7° | 118.7° |
| N3 | C3 | C2 | 111.1° | 107.1° |
| C3 | N3 | C4 | 104.4° | 109.4° |
| C3 | C2 | N2 | 125.1° | 119.1° |
| C3 | C2 | N4 | 105.6° | 106.0° |
| N3 | C4 | N4 | 112.4° | 110.0° |
| N3 | C4 | H8 | 123.8° | 125.0° |
| C1 | N2 | C2 | 112.3° | 120.6° |
| N2 | C1 | H7 | 115.8° | 118.8° |
| N2 | C2 | N4 | 129.2° | 134.9° |
| C2 | N4 | C4 | 106.6° | 107.4° |
| C2 | N4 | C5 | 125.7° | 126.3° |
| C4 | N4 | C5 | 127.5° | 126.3° |
| N4 | C4 | H8 | 123.8° | 125.0° |
| N4 | C5 | C6 | 110.6° | 110.4° |
| N4 | C5 | O4 | 110.3° | 110.4° |
| N4 | C5 | H | 109.5° | 110.4° |
| C6 | C5 | O4 | 108.2° | 104.8° |
| C5 | C6 | C7 | 100.4° | 104.0° |
| C5 | C6 | O | 103.4° | 110.5° |
| C5 | C6 | H1 | 111.0° | 110.6° |
| C6 | C5 | H | 107.9° | 110.3° |
| C5 | O4 | C8 | 109.8° | 105.3° |
| O4 | C5 | H | 110.4° | 110.4° |
| C7 | C6 | O | 115.0° | 110.5° |
| C6 | C7 | C8 | 100.1° | 104.1° |
| C6 | C7 | O1 | 108.2° | 110.5° |
| C7 | C6 | H1 | 111.6° | 110.5° |
| C6 | C7 | H2 | 111.6° | 110.5° |
| O | C6 | H1 | 114.2° | 110.5° |
| C6 | O | H9 | 109.5° | 113.9° |
| C8 | C7 | O1 | 110.5° | 110.5° |
| C7 | C8 | O4 | 106.9° | 104.8° |
| C7 | C8 | C9 | 112.7° | 110.4° |
| C7 | C8 | H3 | 109.2° | 110.4° |
| C8 | C7 | H2 | 111.3° | 110.6° |
| O1 | C7 | H2 | 114.2° | 110.6° |
| C7 | O1 | H10 | 109.5° | 114.0° |
| O4 | C8 | C9 | 107.2° | 110.4° |
| O4 | C8 | H3 | 111.4° | 110.4° |
| C30 | C29 | N5 | 110.5° | 109.5° |
| C29 | C30 | C31 | 111.1° | 109.5° |
| C30 | C29 | H35 | 109.2° | 109.4° |
| C30 | C29 | H36 | 109.2° | 109.5° |
| C29 | C30 | H38 | 109.1° | 109.5° |
| C29 | C30 | H37 | 109.1° | 109.4° |
| C29 | N5 | C9 | 112.6° | 111.0° |
| C29 | N5 | C10 | 116.3° | 111.0° |
| N5 | C29 | H35 | 109.2° | 109.5° |
| N5 | C29 | H36 | 109.2° | 109.5° |
| C8 | C9 | N5 | 109.3° | 109.5° |
| C9 | C8 | H3 | 109.5° | 110.4° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| C9 | N5 | C10 | 113.7° | 111.0° |
| N5 | C9 | H11 | 109.5° | 109.4° |
| N5 | C9 | H12 | 109.5° | 109.5° |
| N7 | C31 | C30 | 109.8° | 109.5° |
| N7 | C31 | C32 | 106.2° | 109.5° |
| N7 | C31 | H4 | 111.0° | 109.5° |
| C31 | N7 | H40 | 109.5° | 111.0° |
| C31 | N7 | H42 | 109.4° | 111.0° |
| C30 | C31 | C32 | 110.0° | 109.5° |
| C31 | C30 | H38 | 109.1° | 109.5° |
| C31 | C30 | H37 | 109.1° | 109.5° |
| C30 | C31 | H4 | 109.8° | 109.4° |
| N5 | C10 | C11 | 106.8° | 109.5° |
| N5 | C10 | H13 | 110.1° | 109.5° |
| N5 | C10 | H14 | 110.1° | 109.5° |
| C31 | C32 | O3 | 128.0° | 119.9° |
| C31 | C32 | O2 | 115.9° | 120.0° |
| C32 | C31 | H4 | 110.0° | 109.5° |
| C10 | C11 | C12 | 117.4° | 113.8° |
| C10 | C11 | C28 | 115.1° | 113.7° |
| C11 | C10 | H13 | 110.1° | 109.5° |
| C11 | C10 | H14 | 110.1° | 109.4° |
| C10 | C11 | H15 | 112.0° | 112.9° |
| O3 | C32 | O2 | 116.0° | 120.1° |
| C32 | O2 | H39 | 109.5° | 116.9° |
| C12 | C11 | C28 | 85.8° | 86.4° |
| C11 | C12 | N6 | 89.7° | 86.2° |
| C12 | C11 | H15 | 111.7° | 113.8° |
| C11 | C12 | H17 | 114.1° | 113.7° |
| C11 | C12 | H16 | 114.2° | 113.7° |
| C11 | C28 | N6 | 91.4° | 86.2° |
| C28 | C11 | H15 | 112.5° | 113.8° |
| C11 | C28 | H34 | 113.8° | 113.8° |
| C11 | C28 | H33 | 113.8° | 113.7° |
| C12 | N6 | C28 | 89.1° | 90.8° |
| C12 | N6 | C13 | 115.9° | 111.0° |
| N6 | C12 | H17 | 114.2° | 113.8° |
| N6 | C12 | H16 | 114.2° | 113.8° |
| C28 | N6 | C13 | 116.8° | 111.0° |
| N6 | C28 | H34 | 113.8° | 113.7° |
| N6 | C28 | H33 | 113.8° | 113.8° |
| N6 | C13 | C14 | 106.7° | 109.5° |
| N6 | C13 | H19 | 110.1° | 109.5° |
| N6 | C13 | H18 | 110.1° | 109.5° |
| C20 | C19 | C18 | 119.6° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C20 | C19 | H25 | 120.2° | 120.0° |
| C19 | C20 | H26 | 120.0° | 120.0° |
| C19 | C18 | C17 | 120.7° | 120.0° |
| C19 | C18 | H24 | 119.6° | 120.0° |
| C18 | C19 | H25 | 120.2° | 120.0° |
| C20 | C21 | C16 | 120.3° | 120.0° |
| C21 | C20 | H26 | 119.9° | 120.0° |
| C20 | C21 | H27 | 119.9° | 120.0° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C18 | C17 | H23 | 119.9° | 120.0° |
| C17 | C18 | H24 | 119.6° | 120.1° |
| C21 | C16 | C17 | 119.0° | 120.0° |
| C21 | C16 | C15 | 118.3° | 120.0° |
| C16 | C21 | H27 | 119.8° | 120.0° |
| C13 | C14 | C15 | 110.7° | 109.5° |
| C14 | C13 | H19 | 110.1° | 109.5° |
| C14 | C13 | H18 | 110.2° | 109.4° |
| C13 | C14 | H20 | 109.2° | 109.5° |
| C13 | C14 | H21 | 109.2° | 109.4° |
| C14 | C15 | C16 | 110.1° | 109.5° |
| C14 | C15 | C22 | 113.3° | 109.5° |
| C15 | C14 | H20 | 109.2° | 109.4° |
| C15 | C14 | H21 | 109.2° | 109.5° |
| C14 | C15 | H22 | 107.1° | 109.5° |
| C17 | C16 | C15 | 122.5° | 120.0° |
| C16 | C17 | H23 | 119.9° | 120.0° |
| C16 | C15 | C22 | 111.6° | 109.5° |
| C16 | C15 | H22 | 107.2° | 109.4° |
| C15 | C22 | C23 | 118.0° | 120.1° |
| C15 | C22 | C27 | 123.3° | 120.0° |
| C22 | C15 | H22 | 107.1° | 109.5° |
| C23 | C22 | C27 | 118.7° | 120.0° |
| C22 | C23 | C24 | 120.9° | 120.1° |
| C22 | C23 | H28 | 119.5° | 120.0° |
| C22 | C27 | C26 | 120.0° | 120.0° |
| C22 | C27 | H32 | 120.0° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C24 | C23 | H28 | 119.5° | 120.0° |
| C23 | C24 | H29 | 120.0° | 120.0° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C27 | C26 | H31 | 119.8° | 120.0° |
| C26 | C27 | H32 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.9° | 120.0° |
| C25 | C24 | H29 | 120.0° | 120.0° |
| C24 | C25 | H30 | 120.0° | 120.0° |
| C26 | C25 | H30 | 120.1° | 120.0° |
| C25 | C26 | H31 | 119.8° | 120.0° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H17 | C12 | H16 | 109.4° | 113.1° |
| H19 | C13 | H18 | 109.5° | 109.5° |
| H34 | C28 | H33 | 109.4° | 113.1° |
| H35 | C29 | H36 | 109.5° | 109.4° |
| H38 | C30 | H37 | 109.4° | 109.5° |
| H40 | N7 | H42 | 109.5° | 111.0° |
| H5 | N | H6 | 109.5° | 120.0° |
| H20 | C14 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | C3 | 179.0° | 179.9° |
| N | C | N1 | C1 | 179.4° | 180.0° |
| N | C | C3 | N3 | 1.0° | 0.0° |
| N | C | C3 | C2 | 179.3° | 179.9° |
| C | N | H5 | H6 | 120.0° | 179.9° |
| N1 | C | C3 | N3 | 179.9° | 180.0° |
| N1 | C | C3 | C2 | 0.3° | 0.0° |
| C | N1 | C1 | N2 | 0.4° | 0.0° |
| C | N1 | C1 | H7 | 179.6° | 180.0° |
| N1 | C | N | H5 | 0.0° | 0.1° |
| N1 | C | N | H6 | 120.0° | 180.0° |
| C3 | C | N1 | C1 | 0.3° | 0.0° |
| C | C3 | N3 | C2 | 179.7° | 180.0° |
| C | C3 | N3 | C4 | 179.4° | 180.0° |
| C | C3 | C2 | N2 | 0.3° | 0.0° |
| C | C3 | C2 | N4 | 179.0° | 180.0° |
| C3 | C | N | H5 | 179.1° | 180.0° |
| C3 | C | N | H6 | 59.1° | 0.1° |
| N1 | C1 | N2 | H7 | 180.0° | 180.0° |
| N1 | C1 | N2 | C2 | 0.5° | 0.0° |
| N3 | C3 | C2 | N2 | 179.9° | 180.0° |
| N3 | C3 | C2 | N4 | 0.8° | 0.1° |
| C3 | N3 | C4 | N4 | 0.3° | 0.1° |
| C3 | N3 | C4 | H8 | 179.6° | 179.9° |
| C2 | C3 | N3 | C4 | 0.3° | 0.0° |
| C3 | C2 | N2 | C1 | 0.4° | 0.0° |
| C3 | C2 | N2 | N4 | 179.1° | 179.9° |
| C3 | C2 | N4 | C4 | 0.9° | 0.1° |
| C3 | C2 | N4 | C5 | 173.7° | 180.0° |
| N3 | C4 | N4 | C2 | 0.8° | 0.1° |
| N3 | C4 | N4 | H8 | 180.0° | 179.9° |
| N3 | C4 | N4 | C5 | 173.6° | 180.0° |
| C1 | N2 | C2 | N4 | 178.7° | 179.9° |
| N2 | C2 | N4 | C4 | 179.8° | 180.0° |
| N2 | C2 | N4 | C5 | 5.6° | 0.1° |
| C2 | N2 | C1 | H7 | 179.6° | 180.0° |
| C2 | N4 | C4 | C5 | 174.5° | 179.9° |
| C2 | N4 | C5 | C6 | 72.1° | 88.8° |
| C2 | N4 | C5 | O4 | 168.2° | 155.8° |
| C2 | N4 | C5 | H | 46.6° | 33.5° |
| C2 | N4 | C4 | H8 | 179.2° | 180.0° |
| C4 | N4 | C5 | C6 | 101.3° | 91.1° |
| C4 | N4 | C5 | O4 | 18.3° | 24.3° |
| C4 | N4 | C5 | H | 139.9° | 146.6° |
| N4 | C5 | C6 | O4 | 120.9° | 118.9° |
| N4 | C5 | C6 | H | 119.7° | 122.3° |
| N4 | C5 | O4 | H | 121.1° | 122.3° |
| N4 | C5 | C6 | C7 | 94.6° | 142.8° |
| N4 | C5 | C6 | O | 146.3° | 98.5° |
| N4 | C5 | O4 | C8 | 117.1° | 159.4° |
| N4 | C5 | C6 | H1 | 23.5° | 24.1° |
| C5 | N4 | C4 | H8 | 6.4° | 0.2° |
| C6 | C5 | O4 | H | 117.8° | 118.8° |
| C5 | C6 | C7 | O | 110.3° | 118.6° |
| C5 | C6 | C7 | H1 | 117.6° | 118.7° |
| C5 | C6 | O | H1 | 120.7° | 122.7° |
| C5 | C6 | C7 | C8 | 35.3° | 0.1° |
| C5 | C6 | C7 | O1 | 151.0° | 118.6° |
| C6 | C5 | O4 | C8 | 4.0° | 40.5° |
| C5 | C6 | C7 | H2 | 82.5° | 118.7° |
| C5 | C6 | O | H9 | 180.0° | 176.1° |
| O4 | C5 | C6 | C7 | 26.3° | 23.9° |
| O4 | C5 | C6 | O | 92.8° | 142.6° |
| C5 | O4 | C8 | C7 | 20.2° | 40.6° |
| C5 | O4 | C8 | C9 | 141.3° | 159.4° |
| O4 | C5 | C6 | H1 | 144.4° | 94.7° |
| C5 | O4 | C8 | H3 | 99.0° | 78.3° |
| C7 | C6 | O | H1 | 130.9° | 122.6° |
| C6 | C7 | C8 | O1 | 114.0° | 118.6° |
| C6 | C7 | C8 | H2 | 118.1° | 118.7° |
| C6 | C7 | O1 | H2 | 125.0° | 122.6° |
| C6 | C7 | C8 | O4 | 35.9° | 24.0° |
| C6 | C7 | C8 | C9 | 153.4° | 142.9° |
| C6 | C7 | C8 | H3 | 84.8° | 94.8° |
| C6 | C7 | O1 | H10 | 180.0° | 61.5° |
| C7 | C6 | O | H9 | 71.5° | 61.5° |
| C7 | C6 | C5 | H | 145.7° | 94.9° |
| O | C6 | C7 | C8 | 75.0° | 118.6° |
| O | C6 | C7 | O1 | 40.7° | 0.0° |
| O | C6 | C7 | H2 | 167.2° | 122.7° |
| O | C6 | C5 | H | 26.6° | 23.8° |
| C8 | C7 | O1 | H2 | 126.4° | 122.8° |
| C7 | C8 | O4 | C9 | 121.1° | 118.9° |
| C7 | C8 | O4 | H3 | 119.2° | 118.8° |
| C7 | C8 | C9 | H3 | 121.7° | 122.3° |
| C7 | C8 | C9 | N5 | 178.8° | 173.7° |
| C8 | C7 | C6 | H1 | 152.9° | 118.8° |
| C7 | C8 | C9 | H11 | 58.8° | 53.8° |
| C7 | C8 | C9 | H12 | 61.3° | 66.2° |
| C8 | C7 | O1 | H10 | 71.3° | 176.1° |
| O1 | C7 | C8 | O4 | 149.8° | 142.6° |
| O1 | C7 | C8 | C9 | 92.7° | 98.6° |
| O1 | C7 | C6 | H1 | 91.4° | 122.6° |
| O1 | C7 | C8 | H3 | 29.2° | 23.8° |
| O4 | C8 | C9 | H3 | 120.9° | 122.3° |
| O4 | C8 | C9 | N5 | 63.9° | 70.9° |
| O4 | C8 | C9 | H11 | 176.2° | 169.2° |
| O4 | C8 | C9 | H12 | 56.1° | 49.2° |
| O4 | C8 | C7 | H2 | 82.2° | 94.6° |
| C8 | O4 | C5 | H | 121.8° | 78.3° |
| C30 | C29 | N5 | H35 | 120.2° | 120.0° |
| C30 | C29 | N5 | H36 | 120.2° | 120.0° |
| C30 | C29 | N5 | C9 | 157.4° | 54.4° |
| C29 | C30 | C31 | N7 | 92.4° | 57.7° |
| C29 | C30 | C31 | H38 | 120.3° | 120.1° |
| C29 | C30 | C31 | H37 | 120.3° | 119.9° |
| C30 | C29 | N5 | C10 | 68.8° | 69.6° |
| C29 | C30 | C31 | C32 | 151.1° | 177.8° |
| C30 | C29 | H35 | H36 | 119.5° | 119.9° |
| C29 | C30 | H38 | H37 | 119.2° | 119.9° |
| C29 | C30 | C31 | H4 | 29.9° | 62.2° |
| C29 | N5 | C9 | C8 | 113.2° | 75.3° |
| C29 | N5 | C9 | C10 | 135.1° | 124.0° |
| N5 | C29 | C30 | C31 | 58.2° | 172.7° |
| C29 | N5 | C10 | C11 | 158.7° | 72.2° |
| C29 | N5 | C9 | H11 | 126.8° | 164.7° |
| C29 | N5 | C9 | H12 | 6.8° | 44.8° |
| C29 | N5 | C10 | H13 | 81.7° | 47.8° |
| C29 | N5 | C10 | H14 | 39.2° | 167.8° |
| N5 | C29 | H35 | H36 | 119.5° | 120.1° |
| N5 | C29 | C30 | H38 | 62.0° | 52.7° |
| N5 | C29 | C30 | H37 | 178.5° | 67.3° |
| C8 | C9 | N5 | H11 | 120.0° | 120.0° |
| C8 | C9 | N5 | H12 | 120.0° | 120.1° |
| C8 | C9 | N5 | C10 | 111.7° | 160.8° |
| C8 | C9 | H11 | H12 | 120.1° | 120.1° |
| C9 | C8 | C7 | H2 | 35.3° | 24.2° |
| C9 | N5 | C10 | C11 | 67.9° | 163.8° |
| N5 | C9 | C8 | H3 | 57.0° | 51.4° |
| N5 | C9 | H11 | H12 | 120.1° | 120.0° |
| C9 | N5 | C10 | H13 | 51.7° | 76.1° |
| C9 | N5 | C10 | H14 | 172.5° | 43.9° |
| C9 | N5 | C29 | H35 | 37.2° | 174.4° |
| C9 | N5 | C29 | H36 | 82.4° | 65.6° |
| N7 | C31 | C30 | C32 | 116.5° | 120.0° |
| N7 | C31 | C30 | H4 | 122.3° | 120.0° |
| N7 | C31 | C32 | H4 | 120.1° | 120.0° |
| N7 | C31 | C32 | O3 | 1.5° | 20.0° |
| N7 | C31 | C32 | O2 | 179.6° | 160.0° |
| N7 | C31 | C30 | H38 | 147.3° | 177.8° |
| N7 | C31 | C30 | H37 | 27.8° | 62.2° |
| C31 | N7 | H40 | H42 | 120.0° | 124.0° |
| C30 | C31 | C32 | H4 | 121.1° | 119.9° |
| C30 | C31 | C32 | O3 | 120.3° | 100.0° |
| C30 | C31 | C32 | O2 | 60.8° | 80.0° |
| C31 | C30 | C29 | H35 | 61.9° | 52.7° |
| C31 | C30 | C29 | H36 | 178.4° | 67.2° |
| C31 | C30 | H38 | H37 | 119.2° | 120.0° |
| C30 | C31 | N7 | H40 | 180.0° | 52.6° |
| C30 | C31 | N7 | H42 | 60.0° | 71.4° |
| N5 | C10 | C11 | H13 | 119.6° | 120.0° |
| N5 | C10 | C11 | H14 | 119.6° | 120.0° |
| N5 | C10 | C11 | C12 | 52.9° | 173.0° |
| N5 | C10 | C11 | C28 | 151.6° | 90.2° |
| C10 | N5 | C9 | H11 | 8.2° | 40.8° |
| C10 | N5 | C9 | H12 | 128.3° | 79.2° |
| N5 | C10 | H13 | H14 | 121.2° | 120.0° |
| N5 | C10 | C11 | H15 | 78.3° | 41.4° |
| C10 | N5 | C29 | H35 | 171.0° | 50.4° |
| C10 | N5 | C29 | H36 | 51.3° | 170.4° |
| C31 | C32 | O3 | O2 | 179.0° | 180.0° |
| C32 | C31 | C30 | H38 | 30.8° | 62.2° |
| C32 | C31 | C30 | H37 | 88.7° | 57.8° |
| C31 | C32 | O2 | H39 | 179.1° | 180.0° |
| C32 | C31 | N7 | H40 | 61.1° | 67.5° |
| C32 | C31 | N7 | H42 | 58.9° | 168.6° |
| C10 | C11 | C12 | C28 | 116.1° | 114.4° |
| C10 | C11 | C12 | H15 | 131.3° | 131.2° |
| C10 | C11 | C28 | H15 | 129.8° | 131.2° |
| C10 | C11 | C12 | N6 | 130.9° | 138.1° |
| C10 | C11 | C28 | N6 | 133.1° | 138.2° |
| C11 | C10 | H13 | H14 | 121.2° | 119.9° |
| C10 | C11 | C12 | H17 | 14.4° | 23.8° |
| C10 | C11 | C12 | H16 | 112.5° | 107.6° |
| C10 | C11 | C28 | H34 | 110.0° | 107.6° |
| C10 | C11 | C28 | H33 | 16.3° | 23.8° |
| O3 | C32 | O2 | H39 | 0.0° | 0.0° |
| O3 | C32 | C31 | H4 | 118.7° | 140.0° |
| O2 | C32 | C31 | H4 | 60.3° | 40.0° |
| C12 | C11 | C28 | H15 | 111.7° | 114.4° |
| C11 | C12 | N6 | H17 | 116.5° | 114.3° |
| C11 | C12 | N6 | H16 | 116.5° | 114.3° |
| C12 | C11 | C28 | N6 | 14.7° | 23.7° |
| C11 | C12 | N6 | C13 | 134.4° | 137.6° |
| C12 | C11 | C10 | H13 | 172.5° | 53.0° |
| C12 | C11 | C10 | H14 | 66.7° | 67.0° |
| C11 | C12 | H17 | H16 | 129.3° | 131.7° |
| C12 | C11 | C28 | H34 | 131.5° | 138.0° |
| C12 | C11 | C28 | H33 | 102.2° | 90.6° |
| C11 | C28 | N6 | H34 | 116.9° | 114.3° |
| C11 | C28 | N6 | H33 | 116.8° | 114.3° |
| C11 | C28 | N6 | C13 | 134.3° | 137.5° |
| C28 | C11 | C10 | H13 | 88.8° | 149.8° |
| C28 | C11 | C10 | H14 | 32.0° | 29.8° |
| C28 | C11 | C12 | H17 | 101.7° | 90.6° |
| C28 | C11 | C12 | H16 | 131.3° | 138.0° |
| C11 | C28 | H34 | H33 | 128.5° | 131.7° |
| C12 | N6 | C28 | C13 | 118.8° | 112.9° |
| C12 | N6 | C13 | C14 | 62.8° | 170.0° |
| N6 | C12 | C11 | H15 | 97.7° | 90.7° |
| N6 | C12 | H17 | H16 | 129.4° | 131.8° |
| C12 | N6 | C13 | H19 | 177.7° | 70.0° |
| C12 | N6 | C13 | H18 | 56.8° | 50.1° |
| C12 | N6 | C28 | H34 | 132.3° | 139.0° |
| C12 | N6 | C28 | H33 | 101.4° | 89.6° |
| C28 | N6 | C13 | C14 | 165.9° | 90.7° |
| N6 | C28 | C11 | H15 | 97.1° | 90.7° |
| C28 | N6 | C12 | H17 | 101.6° | 89.6° |
| C28 | N6 | C12 | H16 | 131.4° | 139.0° |
| C28 | N6 | C13 | H19 | 74.6° | 29.3° |
| C28 | N6 | C13 | H18 | 46.3° | 149.4° |
| N6 | C28 | H34 | H33 | 128.6° | 131.7° |
| N6 | C13 | C14 | H19 | 119.5° | 120.1° |
| N6 | C13 | C14 | H18 | 119.6° | 119.9° |
| N6 | C13 | C14 | C15 | 171.9° | 180.0° |
| C13 | N6 | C12 | H17 | 17.9° | 23.2° |
| C13 | N6 | C12 | H16 | 109.0° | 108.2° |
| N6 | C13 | H19 | H18 | 121.3° | 120.0° |
| C13 | N6 | C28 | H34 | 108.9° | 108.1° |
| C13 | N6 | C28 | H33 | 17.4° | 23.3° |
| N6 | C13 | C14 | H20 | 51.7° | 60.0° |
| N6 | C13 | C14 | H21 | 67.9° | 60.0° |
| C20 | C19 | C18 | H25 | 180.0° | 179.7° |
| C19 | C20 | C21 | H26 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C19 | C20 | C21 | C16 | 0.4° | 0.6° |
| C20 | C19 | C18 | H24 | 179.4° | 180.0° |
| C19 | C20 | C21 | H27 | 179.6° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.3° |
| C19 | C18 | C17 | H24 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.0° |
| C19 | C18 | C17 | H23 | 179.5° | 180.0° |
| C18 | C19 | C20 | H26 | 179.3° | 180.0° |
| C20 | C21 | C16 | H27 | 180.0° | 179.5° |
| C20 | C21 | C16 | C17 | 1.5° | 0.6° |
| C20 | C21 | C16 | C15 | 173.3° | 179.7° |
| C21 | C20 | C19 | H25 | 179.3° | 180.0° |
| C18 | C17 | C16 | C21 | 1.6° | 0.3° |
| C18 | C17 | C16 | H23 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 173.0° | 180.0° |
| C17 | C18 | C19 | H25 | 179.4° | 179.7° |
| C21 | C16 | C15 | C14 | 127.6° | 132.3° |
| C21 | C16 | C17 | C15 | 174.5° | 179.7° |
| C21 | C16 | C15 | C22 | 105.6° | 107.7° |
| C21 | C16 | C17 | H23 | 178.5° | 179.7° |
| C16 | C21 | C20 | H26 | 179.6° | 179.7° |
| C21 | C16 | C15 | H22 | 11.4° | 12.3° |
| C13 | C14 | C15 | H20 | 120.2° | 120.1° |
| C13 | C14 | C15 | H21 | 120.2° | 120.0° |
| C13 | C14 | C15 | C16 | 162.4° | 175.0° |
| C13 | C14 | C15 | C22 | 71.8° | 65.0° |
| C14 | C13 | H19 | H18 | 121.3° | 120.0° |
| C13 | C14 | H20 | H21 | 119.5° | 120.0° |
| C13 | C14 | C15 | H22 | 46.1° | 55.0° |
| C14 | C15 | C16 | C17 | 47.0° | 48.0° |
| C14 | C15 | C16 | C22 | 126.8° | 120.0° |
| C14 | C15 | C16 | H22 | 116.2° | 120.0° |
| C14 | C15 | C22 | H22 | 117.9° | 120.0° |
| C14 | C15 | C22 | C23 | 137.8° | 125.3° |
| C14 | C15 | C22 | C27 | 41.0° | 55.0° |
| C15 | C14 | C13 | H19 | 68.6° | 60.0° |
| C15 | C14 | C13 | H18 | 52.3° | 60.0° |
| C15 | C14 | H20 | H21 | 119.4° | 120.0° |
| C17 | C16 | C15 | C22 | 79.8° | 72.0° |
| C16 | C17 | C18 | H24 | 179.5° | 180.0° |
| C17 | C16 | C21 | H27 | 178.5° | 180.0° |
| C17 | C16 | C15 | H22 | 163.2° | 168.0° |
| C16 | C15 | C22 | H22 | 117.1° | 120.0° |
| C16 | C15 | C22 | C23 | 97.3° | 114.6° |
| C16 | C15 | C22 | C27 | 83.9° | 65.1° |
| C15 | C16 | C17 | H23 | 7.0° | 0.0° |
| C15 | C16 | C21 | H27 | 6.7° | 0.2° |
| C16 | C15 | C14 | H20 | 42.2° | 54.9° |
| C16 | C15 | C14 | H21 | 77.4° | 65.0° |
| C15 | C22 | C23 | C27 | 178.9° | 179.7° |
| C15 | C22 | C23 | C24 | 178.7° | 179.7° |
| C15 | C22 | C27 | C26 | 178.2° | 179.7° |
| C15 | C22 | C23 | H28 | 1.4° | 0.3° |
| C15 | C22 | C27 | H32 | 1.7° | 0.3° |
| C22 | C15 | C14 | H20 | 168.0° | 175.0° |
| C22 | C15 | C14 | H21 | 48.4° | 55.0° |
| C22 | C23 | C24 | H28 | 180.0° | 180.0° |
| C23 | C22 | C27 | C26 | 0.6° | 0.1° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H29 | 179.9° | 179.9° |
| C23 | C22 | C27 | H32 | 179.5° | 180.0° |
| C23 | C22 | C15 | H22 | 19.9° | 5.3° |
| C27 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C27 | C26 | H32 | 180.0° | 179.9° |
| C22 | C27 | C26 | C25 | 0.7° | 0.1° |
| C27 | C22 | C23 | H28 | 179.8° | 180.0° |
| C22 | C27 | C26 | H31 | 179.3° | 180.0° |
| C27 | C22 | C15 | H22 | 158.9° | 175.0° |
| C23 | C24 | C25 | H29 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C23 | C24 | C25 | H30 | 179.9° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.1° |
| C27 | C26 | C25 | H31 | 180.0° | 179.8° |
| C27 | C26 | C25 | H30 | 179.6° | 179.9° |
| C24 | C25 | C26 | H30 | 180.0° | 179.9° |
| C25 | C24 | C23 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | H31 | 179.6° | 180.0° |
| C26 | C25 | C24 | H29 | 179.9° | 180.0° |
| C25 | C26 | C27 | H32 | 179.3° | 179.9° |
| H1 | C6 | C7 | H2 | 35.1° | 0.1° |
| H1 | C6 | O | H9 | 59.3° | 61.2° |
| H1 | C6 | C5 | H | 96.2° | 146.4° |
| H3 | C8 | C9 | H11 | 62.9° | 68.6° |
| H3 | C8 | C9 | H12 | 177.0° | 171.4° |
| H3 | C8 | C7 | H2 | 157.2° | 146.5° |
| H13 | C10 | C11 | H15 | 41.3° | 78.6° |
| H14 | C10 | C11 | H15 | 162.1° | 161.4° |
| H15 | C11 | C12 | H17 | 145.7° | 154.9° |
| H15 | C11 | C12 | H16 | 18.8° | 23.6° |
| H15 | C11 | C28 | H34 | 19.8° | 23.6° |
| H15 | C11 | C28 | H33 | 146.1° | 155.0° |
| H19 | C13 | C14 | H20 | 171.3° | 180.0° |
| H19 | C13 | C14 | H21 | 51.6° | 60.0° |
| H18 | C13 | C14 | H20 | 67.8° | 60.0° |
| H18 | C13 | C14 | H21 | 172.5° | 180.0° |
| H23 | C17 | C18 | H24 | 0.5° | 0.0° |
| H24 | C18 | C19 | H25 | 0.6° | 0.3° |
| H25 | C19 | C20 | H26 | 0.6° | 0.3° |
| H26 | C20 | C21 | H27 | 0.4° | 0.2° |
| H28 | C23 | C24 | H29 | 0.0° | 0.1° |
| H29 | C24 | C25 | H30 | 0.0° | 0.1° |
| H30 | C25 | C26 | H31 | 0.4° | 0.1° |
| H31 | C26 | C27 | H32 | 0.7° | 0.1° |
| H35 | C29 | C30 | H38 | 177.8° | 67.4° |
| H35 | C29 | C30 | H37 | 58.3° | 172.7° |
| H36 | C29 | C30 | H38 | 58.1° | 172.7° |
| H36 | C29 | C30 | H37 | 61.3° | 52.7° |
| H38 | C30 | C31 | H4 | 90.4° | 57.8° |
| H37 | C30 | C31 | H4 | 150.2° | 177.8° |
| H4 | C31 | N7 | H40 | 58.4° | 172.5° |
| H4 | C31 | N7 | H42 | 178.4° | 48.5° |
| H2 | C7 | O1 | H10 | 55.0° | 61.1° |
| H20 | C14 | C15 | H22 | 74.1° | 65.1° |
| H21 | C14 | C15 | H22 | 166.3° | 175.0° |
