JVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.37Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | N6 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| N6 | C17 | sing | 1.37Å | 1.37Å | Aromatic |
| C29 | N8 | sing | 1.48Å | 1.46Å | |
| C19 | C16 | sing | 1.46Å | 1.43Å | Aromatic |
| O1 | C30 | doub | 1.21Å | 1.23Å | |
| C12 | N4 | sing | 1.47Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | doub | 1.34Å | 1.36Å | Aromatic |
| C24 | N7 | sing | 1.37Å | 1.33Å | |
| C24 | O2 | doub | 1.21Å | 1.23Å | |
| N8 | C30 | sing | 1.36Å | 1.33Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| N7 | C14 | sing | 1.48Å | 1.46Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| N5 | C13 | sing | 1.36Å | 1.34Å | |
| N5 | C8 | sing | 1.48Å | 1.46Å | |
| C31 | N9 | sing | 1.48Å | 1.45Å | |
| N1 | C2 | doub | 1.30Å | 1.41Å | |
| C13 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| O4 | C7 | doub | 1.21Å | 1.24Å | |
| C | N9 | sing | 1.37Å | 1.33Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C7 | N3 | sing | 1.36Å | 1.33Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N | sing | 1.38Å | 1.40Å | |
| C1 | N | sing | 1.46Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N3 | C6 | sing | 1.48Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 1.01Å | 1.00Å | |
| N4 | H18 | sing | 1.01Å | 1.00Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| C23 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.08Å | 1.08Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| N6 | H46 | sing | 0.97Å | 1.00Å | |
| N7 | H47 | sing | 0.97Å | 1.00Å | |
| N8 | H48 | sing | 0.97Å | 1.00Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.7° | 120.7° |
| C22 | C23 | C18 | 118.2° | 119.8° |
| C23 | C22 | H33 | 119.7° | 119.7° |
| C22 | C23 | H34 | 120.9° | 120.1° |
| C22 | C21 | C20 | 120.9° | 120.5° |
| C22 | C21 | H32 | 119.5° | 119.8° |
| C21 | C22 | H33 | 119.6° | 119.6° |
| C23 | C18 | N6 | 130.6° | 133.6° |
| C23 | C18 | C19 | 122.1° | 119.3° |
| C18 | C23 | H34 | 120.9° | 120.1° |
| C21 | C20 | C19 | 119.6° | 119.7° |
| C21 | C20 | H31 | 120.2° | 120.1° |
| C20 | C21 | H32 | 119.5° | 119.7° |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C33 | C34 | C26 | 120.4° | 120.0° |
| C34 | C33 | H43 | 119.9° | 120.1° |
| C33 | C34 | H44 | 119.8° | 119.9° |
| C33 | C32 | C28 | 120.6° | 120.0° |
| C33 | C32 | H42 | 119.7° | 120.0° |
| C32 | C33 | H43 | 119.9° | 120.0° |
| C34 | C26 | C25 | 121.1° | 119.7° |
| C34 | C26 | C27 | 118.6° | 120.1° |
| C26 | C34 | H44 | 119.8° | 120.1° |
| C32 | C28 | C27 | 118.6° | 119.9° |
| C32 | C28 | C29 | 121.3° | 120.0° |
| C28 | C32 | H42 | 119.7° | 120.0° |
| N6 | C18 | C19 | 107.3° | 107.1° |
| C18 | N6 | C17 | 108.9° | 109.9° |
| C18 | N6 | H46 | 125.5° | 125.0° |
| C18 | C19 | C20 | 118.5° | 119.9° |
| C18 | C19 | C16 | 107.1° | 106.1° |
| C25 | C26 | C27 | 120.2° | 120.2° |
| C26 | C25 | C24 | 114.1° | 108.9° |
| C26 | C25 | H35 | 108.3° | 109.6° |
| C26 | C25 | H36 | 108.3° | 109.7° |
| C26 | C27 | C28 | 121.6° | 120.0° |
| C26 | C27 | H37 | 119.2° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.1° |
| C28 | C27 | H37 | 119.2° | 119.9° |
| C28 | C29 | N8 | 111.9° | 108.9° |
| C28 | C29 | H38 | 108.9° | 109.6° |
| C28 | C29 | H39 | 108.9° | 109.6° |
| C20 | C19 | C16 | 134.3° | 134.0° |
| C19 | C20 | H31 | 120.2° | 120.1° |
| C25 | C24 | N7 | 115.7° | 118.5° |
| C25 | C24 | O2 | 122.3° | 120.8° |
| C24 | C25 | H35 | 108.3° | 109.5° |
| C24 | C25 | H36 | 108.3° | 109.5° |
| N6 | C17 | C16 | 110.2° | 110.0° |
| N6 | C17 | H30 | 124.9° | 125.0° |
| C17 | N6 | H46 | 125.5° | 125.1° |
| C29 | N8 | C30 | 121.8° | 116.6° |
| N8 | C29 | H38 | 108.8° | 109.6° |
| N8 | C29 | H39 | 108.9° | 109.6° |
| C29 | N8 | H48 | 119.1° | 121.6° |
| C19 | C16 | C17 | 106.4° | 107.0° |
| C19 | C16 | C15 | 126.3° | 126.5° |
| O1 | C30 | N8 | 123.0° | 120.4° |
| O1 | C30 | C31 | 121.2° | 120.4° |
| N4 | C12 | C11 | 113.5° | 109.5° |
| C12 | N4 | H17 | 109.5° | 111.0° |
| C12 | N4 | H18 | 109.5° | 111.0° |
| N4 | C12 | H25 | 108.4° | 109.5° |
| N4 | C12 | H26 | 108.5° | 109.4° |
| C12 | C11 | C10 | 111.4° | 109.5° |
| C12 | C11 | H23 | 109.0° | 109.5° |
| C12 | C11 | H24 | 109.0° | 109.5° |
| C11 | C12 | H25 | 108.5° | 109.5° |
| C11 | C12 | H26 | 108.5° | 109.4° |
| C17 | C16 | C15 | 127.2° | 126.6° |
| C16 | C17 | H30 | 124.9° | 125.0° |
| N7 | C24 | O2 | 122.0° | 120.7° |
| C24 | N7 | C14 | 120.3° | 115.4° |
| C24 | N7 | H47 | 119.9° | 122.3° |
| N8 | C30 | C31 | 115.8° | 119.1° |
| C30 | N8 | H48 | 119.1° | 121.8° |
| C11 | C10 | C9 | 114.3° | 109.5° |
| C11 | C10 | H21 | 108.3° | 109.5° |
| C11 | C10 | H22 | 108.3° | 109.5° |
| C10 | C11 | H23 | 109.0° | 109.4° |
| C10 | C11 | H24 | 109.0° | 109.5° |
| C10 | C9 | C8 | 112.4° | 109.5° |
| C10 | C9 | H5 | 108.7° | 109.4° |
| C10 | C9 | H6 | 108.8° | 109.5° |
| C9 | C10 | H21 | 108.3° | 109.4° |
| C9 | C10 | H22 | 108.3° | 109.5° |
| C16 | C15 | C14 | 111.1° | 109.5° |
| C16 | C15 | H28 | 109.1° | 109.5° |
| C16 | C15 | H29 | 109.0° | 109.4° |
| N7 | C14 | C15 | 111.5° | 109.8° |
| N7 | C14 | C13 | 111.6° | 108.7° |
| N7 | C14 | H27 | 107.3° | 109.5° |
| C14 | N7 | H47 | 119.8° | 122.3° |
| C30 | C31 | N9 | 115.3° | 108.3° |
| C30 | C31 | H40 | 108.0° | 109.7° |
| C30 | C31 | H41 | 108.0° | 109.7° |
| C9 | C8 | N5 | 110.7° | 109.5° |
| C9 | C8 | C7 | 111.4° | 109.5° |
| C9 | C8 | H2 | 108.6° | 109.5° |
| C8 | C9 | H5 | 108.7° | 109.5° |
| C8 | C9 | H6 | 108.7° | 109.5° |
| C15 | C14 | C13 | 113.1° | 109.7° |
| C15 | C14 | H27 | 106.4° | 109.6° |
| C14 | C15 | H28 | 109.1° | 109.5° |
| C14 | C15 | H29 | 109.1° | 109.4° |
| O | C | N9 | 122.0° | 120.8° |
| O | C | C1 | 120.6° | 120.9° |
| C14 | C13 | N5 | 115.5° | 118.7° |
| C14 | C13 | O3 | 121.2° | 120.7° |
| C13 | C14 | H27 | 106.4° | 109.6° |
| C13 | N5 | C8 | 122.7° | 116.5° |
| N5 | C13 | O3 | 123.2° | 120.6° |
| C13 | N5 | H45 | 118.6° | 121.7° |
| N5 | C8 | C7 | 107.6° | 109.3° |
| N5 | C8 | H2 | 109.7° | 109.5° |
| C8 | N5 | H45 | 118.7° | 121.8° |
| C31 | N9 | C | 120.3° | 115.7° |
| N9 | C31 | H40 | 108.0° | 109.7° |
| N9 | C31 | H41 | 108.0° | 109.7° |
| C31 | N9 | H49 | 119.9° | 122.2° |
| N1 | C2 | N2 | 126.7° | 120.0° |
| N1 | C2 | N | 114.9° | 120.0° |
| C2 | N1 | H1 | 112.0° | 120.0° |
| C8 | C7 | O4 | 121.1° | 120.6° |
| C8 | C7 | N3 | 115.2° | 118.8° |
| C7 | C8 | H2 | 108.7° | 109.6° |
| O4 | C7 | N3 | 123.6° | 120.6° |
| N9 | C | C1 | 117.4° | 118.3° |
| C | N9 | H49 | 119.9° | 122.1° |
| C | C1 | N | 112.7° | 109.5° |
| C | C1 | C3 | 109.0° | 109.5° |
| C | C1 | H7 | 108.3° | 109.4° |
| C7 | N3 | C6 | 123.2° | 116.6° |
| C7 | N3 | H12 | 118.4° | 121.6° |
| N2 | C2 | N | 118.4° | 120.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N2 | H4 | 120.0° | 120.0° |
| C2 | N | C1 | 126.6° | 120.0° |
| C2 | N | H20 | 116.7° | 120.0° |
| N | C1 | C3 | 108.9° | 109.5° |
| N | C1 | H7 | 109.4° | 109.5° |
| C1 | N | H20 | 116.7° | 120.0° |
| C1 | C3 | C4 | 115.4° | 109.5° |
| C3 | C1 | H7 | 108.4° | 109.5° |
| C1 | C3 | H15 | 108.0° | 109.5° |
| C1 | C3 | H16 | 108.0° | 109.5° |
| C3 | C4 | C5 | 111.8° | 109.5° |
| C3 | C4 | H13 | 108.9° | 109.4° |
| C3 | C4 | H14 | 108.9° | 109.5° |
| C4 | C3 | H15 | 108.0° | 109.5° |
| C4 | C3 | H16 | 108.0° | 109.5° |
| C4 | C5 | C6 | 114.8° | 109.7° |
| C4 | C5 | H8 | 108.1° | 109.4° |
| C4 | C5 | H9 | 108.1° | 109.4° |
| C5 | C4 | H13 | 108.9° | 109.5° |
| C5 | C4 | H14 | 108.9° | 109.5° |
| N3 | C6 | C5 | 111.5° | 108.9° |
| N3 | C6 | H10 | 109.0° | 109.6° |
| N3 | C6 | H11 | 108.9° | 109.6° |
| C6 | N3 | H12 | 118.4° | 121.7° |
| C6 | C5 | H8 | 108.1° | 109.4° |
| C6 | C5 | H9 | 108.1° | 109.4° |
| C5 | C6 | H10 | 108.9° | 109.5° |
| C5 | C6 | H11 | 109.0° | 109.5° |
| H3 | N2 | H4 | 120.0° | 120.0° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.4° | 109.6° |
| H13 | C4 | H14 | 109.5° | 109.4° |
| H15 | C3 | H16 | 109.5° | 109.5° |
| H17 | N4 | H18 | 109.5° | 111.0° |
| H21 | C10 | H22 | 109.4° | 109.4° |
| H23 | C11 | H24 | 109.5° | 109.4° |
| H25 | C12 | H26 | 109.4° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.4° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.6° |
| H40 | C31 | H41 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H33 | 180.0° | 179.9° |
| C22 | C23 | C18 | H34 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.5° | 0.0° |
| C22 | C23 | C18 | N6 | 176.4° | 180.0° |
| C22 | C23 | C18 | C19 | 1.2° | 0.0° |
| C23 | C22 | C21 | H32 | 179.5° | 180.0° |
| C21 | C22 | C23 | C18 | 0.7° | 0.0° |
| C22 | C21 | C20 | H32 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 1.3° | 0.0° |
| C22 | C21 | C20 | H31 | 178.7° | 180.0° |
| C21 | C22 | C23 | H34 | 179.3° | 180.0° |
| C23 | C18 | N6 | C19 | 177.8° | 180.0° |
| C23 | C18 | C19 | C20 | 0.4° | 0.0° |
| C23 | C18 | N6 | C17 | 177.7° | 180.0° |
| C23 | C18 | C19 | C16 | 178.1° | 179.9° |
| C18 | C23 | C22 | H33 | 179.3° | 179.9° |
| C23 | C18 | N6 | H46 | 2.3° | 0.0° |
| C21 | C20 | C19 | C18 | 0.8° | 0.0° |
| C21 | C20 | C19 | H31 | 180.0° | 180.0° |
| C21 | C20 | C19 | C16 | 176.1° | 179.8° |
| C20 | C21 | C22 | H33 | 179.5° | 179.9° |
| C34 | C33 | C32 | H43 | 180.0° | 180.0° |
| C33 | C34 | C26 | H44 | 180.0° | 180.0° |
| C34 | C33 | C32 | C28 | 0.5° | 0.5° |
| C33 | C34 | C26 | C25 | 175.6° | 179.7° |
| C33 | C34 | C26 | C27 | 1.3° | 0.3° |
| C34 | C33 | C32 | H42 | 179.5° | 179.5° |
| C32 | C33 | C34 | C26 | 1.1° | 0.2° |
| C33 | C32 | C28 | H42 | 180.0° | 180.0° |
| C33 | C32 | C28 | C27 | 0.1° | 0.2° |
| C33 | C32 | C28 | C29 | 179.4° | 179.5° |
| C32 | C33 | C34 | H44 | 178.9° | 179.7° |
| C34 | C26 | C25 | C27 | 176.9° | 180.0° |
| C34 | C26 | C27 | C28 | 1.0° | 0.6° |
| C34 | C26 | C25 | C24 | 98.8° | 83.7° |
| C34 | C26 | C25 | H35 | 22.0° | 36.1° |
| C34 | C26 | C25 | H36 | 140.6° | 156.5° |
| C34 | C26 | C27 | H37 | 179.0° | 179.4° |
| C26 | C34 | C33 | H43 | 178.9° | 179.8° |
| C32 | C28 | C27 | C26 | 0.3° | 0.3° |
| C32 | C28 | C27 | C29 | 179.5° | 179.8° |
| C32 | C28 | C29 | N8 | 137.3° | 94.8° |
| C32 | C28 | C27 | H37 | 179.7° | 179.7° |
| C32 | C28 | C29 | H38 | 102.4° | 25.0° |
| C32 | C28 | C29 | H39 | 16.9° | 145.4° |
| C28 | C32 | C33 | H43 | 179.5° | 179.5° |
| N6 | C18 | C19 | C20 | 177.6° | 180.0° |
| C18 | N6 | C17 | H46 | 180.0° | 179.9° |
| N6 | C18 | C19 | C16 | 0.0° | 0.1° |
| C18 | N6 | C17 | C16 | 0.2° | 0.2° |
| C18 | N6 | C17 | H30 | 179.8° | 179.9° |
| N6 | C18 | C23 | H34 | 3.6° | 0.0° |
| C18 | C19 | C20 | C16 | 176.9° | 179.8° |
| C19 | C18 | N6 | C17 | 0.1° | 0.0° |
| C18 | C19 | C16 | C17 | 0.1° | 0.2° |
| C18 | C19 | C16 | C15 | 178.6° | 180.0° |
| C18 | C19 | C20 | H31 | 179.2° | 180.0° |
| C19 | C18 | C23 | H34 | 178.8° | 180.0° |
| C19 | C18 | N6 | H46 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 176.0° | 179.4° |
| C26 | C25 | C24 | H35 | 120.7° | 119.9° |
| C26 | C25 | C24 | H36 | 120.7° | 120.0° |
| C26 | C25 | C24 | N7 | 170.4° | 147.3° |
| C26 | C25 | C24 | O2 | 8.3° | 32.6° |
| C26 | C25 | H35 | H36 | 117.9° | 120.4° |
| C25 | C26 | C27 | H37 | 4.0° | 0.6° |
| C25 | C26 | C34 | H44 | 4.4° | 0.3° |
| C26 | C27 | C28 | H37 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 179.2° | 179.9° |
| C27 | C26 | C25 | C24 | 84.4° | 96.3° |
| C27 | C26 | C25 | H35 | 154.9° | 143.9° |
| C27 | C26 | C25 | H36 | 36.3° | 23.5° |
| C27 | C26 | C34 | H44 | 178.7° | 179.7° |
| C27 | C28 | C29 | N8 | 43.2° | 85.4° |
| C27 | C28 | C29 | H38 | 77.1° | 154.7° |
| C27 | C28 | C29 | H39 | 163.6° | 34.4° |
| C27 | C28 | C32 | H42 | 179.9° | 179.8° |
| C28 | C29 | N8 | H38 | 120.4° | 119.8° |
| C28 | C29 | N8 | H39 | 120.4° | 119.8° |
| C28 | C29 | N8 | C30 | 118.7° | 152.7° |
| C29 | C28 | C27 | H37 | 0.8° | 0.1° |
| C28 | C29 | H38 | H39 | 118.9° | 120.3° |
| C29 | C28 | C32 | H42 | 0.6° | 0.5° |
| C28 | C29 | N8 | H48 | 61.3° | 27.3° |
| C20 | C19 | C16 | C17 | 177.0° | 179.9° |
| C20 | C19 | C16 | C15 | 4.3° | 0.2° |
| C19 | C20 | C21 | H32 | 178.7° | 180.0° |
| C25 | C24 | N7 | O2 | 178.7° | 180.0° |
| C25 | C24 | N7 | C14 | 175.1° | 179.8° |
| C24 | C25 | H35 | H36 | 117.9° | 120.1° |
| C25 | C24 | N7 | H47 | 4.9° | 0.1° |
| N6 | C17 | C16 | C19 | 0.2° | 0.3° |
| N6 | C17 | C16 | H30 | 180.0° | 179.9° |
| N6 | C17 | C16 | C15 | 178.5° | 180.0° |
| C29 | N8 | C30 | O1 | 4.9° | 1.4° |
| C29 | N8 | C30 | H48 | 180.0° | 180.0° |
| C29 | N8 | C30 | C31 | 176.5° | 178.6° |
| N8 | C29 | H38 | H39 | 118.9° | 120.3° |
| C19 | C16 | C17 | C15 | 178.7° | 179.7° |
| C19 | C16 | C15 | C14 | 90.5° | 55.7° |
| C19 | C16 | C15 | H28 | 29.7° | 64.4° |
| C19 | C16 | C15 | H29 | 149.2° | 175.7° |
| C19 | C16 | C17 | H30 | 179.8° | 179.8° |
| C16 | C19 | C20 | H31 | 4.0° | 0.2° |
| O1 | C30 | N8 | C31 | 178.6° | 180.0° |
| O1 | C30 | C31 | N9 | 154.3° | 47.9° |
| O1 | C30 | C31 | H40 | 33.4° | 167.6° |
| O1 | C30 | C31 | H41 | 84.9° | 71.7° |
| O1 | C30 | N8 | H48 | 175.1° | 178.6° |
| N4 | C12 | C11 | H25 | 120.6° | 120.0° |
| N4 | C12 | C11 | H26 | 120.6° | 119.9° |
| N4 | C12 | C11 | C10 | 171.9° | 180.0° |
| C12 | N4 | H17 | H18 | 120.0° | 124.0° |
| N4 | C12 | C11 | H23 | 67.8° | 60.0° |
| N4 | C12 | C11 | H24 | 51.6° | 60.0° |
| N4 | C12 | H25 | H26 | 118.2° | 120.0° |
| C12 | C11 | C10 | H23 | 120.3° | 120.0° |
| C12 | C11 | C10 | H24 | 120.3° | 120.1° |
| C12 | C11 | C10 | C9 | 178.2° | 180.0° |
| C11 | C12 | N4 | H17 | 180.0° | 56.0° |
| C11 | C12 | N4 | H18 | 60.0° | 180.0° |
| C12 | C11 | C10 | H21 | 61.1° | 60.0° |
| C12 | C11 | C10 | H22 | 57.5° | 60.0° |
| C12 | C11 | H23 | H24 | 119.1° | 120.0° |
| C11 | C12 | H25 | H26 | 118.2° | 120.0° |
| C17 | C16 | C15 | C14 | 88.0° | 123.9° |
| C17 | C16 | C15 | H28 | 151.8° | 115.9° |
| C17 | C16 | C15 | H29 | 32.3° | 4.0° |
| C16 | C17 | N6 | H46 | 179.8° | 179.8° |
| C24 | N7 | C14 | H47 | 180.0° | 179.9° |
| C24 | N7 | C14 | C15 | 99.8° | 30.6° |
| C24 | N7 | C14 | C13 | 132.6° | 150.6° |
| C24 | N7 | C14 | H27 | 16.4° | 89.7° |
| N7 | C24 | C25 | H35 | 49.7° | 92.8° |
| N7 | C24 | C25 | H36 | 68.9° | 27.4° |
| O2 | C24 | N7 | C14 | 3.6° | 0.2° |
| O2 | C24 | C25 | H35 | 128.9° | 87.3° |
| O2 | C24 | C25 | H36 | 112.4° | 152.6° |
| O2 | C24 | N7 | H47 | 176.4° | 180.0° |
| N8 | C30 | C31 | N9 | 27.1° | 132.1° |
| C30 | N8 | C29 | H38 | 1.7° | 87.5° |
| C30 | N8 | C29 | H39 | 120.9° | 32.9° |
| N8 | C30 | C31 | H40 | 148.0° | 12.4° |
| N8 | C30 | C31 | H41 | 93.8° | 108.3° |
| C11 | C10 | C9 | H21 | 120.7° | 120.0° |
| C11 | C10 | C9 | H22 | 120.7° | 120.1° |
| C11 | C10 | C9 | C8 | 72.2° | 180.0° |
| C11 | C10 | C9 | H5 | 48.2° | 60.1° |
| C11 | C10 | C9 | H6 | 167.3° | 59.9° |
| C11 | C10 | H21 | H22 | 117.8° | 120.1° |
| C10 | C11 | H23 | H24 | 119.1° | 120.0° |
| C10 | C11 | C12 | H25 | 51.3° | 60.0° |
| C10 | C11 | C12 | H26 | 67.5° | 60.1° |
| C10 | C9 | C8 | H5 | 120.4° | 120.0° |
| C10 | C9 | C8 | H6 | 120.5° | 120.0° |
| C10 | C9 | C8 | N5 | 56.7° | 65.2° |
| C10 | C9 | C8 | C7 | 176.4° | 175.0° |
| C10 | C9 | C8 | H2 | 63.8° | 54.9° |
| C10 | C9 | H5 | H6 | 118.7° | 120.0° |
| C9 | C10 | H21 | H22 | 117.8° | 119.9° |
| C9 | C10 | C11 | H23 | 57.9° | 60.0° |
| C9 | C10 | C11 | H24 | 61.5° | 59.9° |
| C16 | C15 | C14 | N7 | 41.4° | 178.7° |
| C16 | C15 | C14 | H28 | 120.2° | 120.1° |
| C16 | C15 | C14 | H29 | 120.2° | 119.9° |
| C16 | C15 | C14 | C13 | 85.3° | 62.0° |
| C16 | C15 | C14 | H27 | 158.1° | 58.4° |
| C16 | C15 | H28 | H29 | 119.2° | 119.9° |
| C15 | C16 | C17 | H30 | 1.5° | 0.1° |
| N7 | C14 | C15 | C13 | 126.7° | 119.4° |
| N7 | C14 | C15 | H27 | 116.7° | 120.3° |
| N7 | C14 | C13 | H27 | 116.7° | 119.7° |
| N7 | C14 | C13 | N5 | 23.4° | 144.7° |
| N7 | C14 | C13 | O3 | 159.3° | 35.2° |
| N7 | C14 | C15 | H28 | 78.8° | 58.6° |
| N7 | C14 | C15 | H29 | 161.7° | 61.4° |
| C30 | C31 | N9 | H40 | 120.9° | 119.7° |
| C30 | C31 | N9 | H41 | 120.8° | 119.7° |
| C30 | C31 | N9 | C | 70.3° | 157.9° |
| C30 | C31 | H40 | H41 | 117.3° | 120.6° |
| C31 | C30 | N8 | H48 | 3.5° | 1.3° |
| C30 | C31 | N9 | H49 | 109.7° | 22.2° |
| C9 | C8 | N5 | C13 | 125.9° | 130.8° |
| C9 | C8 | N5 | C7 | 122.0° | 119.9° |
| C9 | C8 | N5 | H2 | 119.9° | 120.1° |
| C9 | C8 | C7 | H2 | 119.7° | 120.1° |
| C9 | C8 | C7 | O4 | 40.8° | 172.0° |
| C9 | C8 | C7 | N3 | 142.5° | 8.4° |
| C8 | C9 | H5 | H6 | 118.6° | 120.0° |
| C8 | C9 | C10 | H21 | 167.0° | 60.0° |
| C8 | C9 | C10 | H22 | 48.5° | 60.0° |
| C9 | C8 | N5 | H45 | 54.1° | 49.2° |
| C15 | C14 | C13 | H27 | 116.5° | 120.3° |
| C15 | C14 | C13 | N5 | 150.1° | 24.7° |
| C15 | C14 | C13 | O3 | 32.5° | 155.2° |
| C14 | C15 | H28 | H29 | 119.3° | 120.0° |
| C15 | C14 | N7 | H47 | 80.2° | 149.3° |
| O | C | N9 | C31 | 4.1° | 0.1° |
| O | C | N9 | C1 | 179.6° | 180.0° |
| O | C | C1 | N | 150.3° | 94.3° |
| O | C | C1 | C3 | 88.7° | 25.7° |
| O | C | C1 | H7 | 29.1° | 145.7° |
| O | C | N9 | H49 | 175.9° | 179.9° |
| C14 | C13 | N5 | O3 | 177.3° | 179.9° |
| C14 | C13 | N5 | C8 | 175.8° | 178.3° |
| C13 | C14 | C15 | H28 | 154.4° | 177.9° |
| C13 | C14 | C15 | H29 | 34.9° | 58.0° |
| C14 | C13 | N5 | H45 | 4.2° | 1.7° |
| C13 | C14 | N7 | H47 | 47.4° | 29.3° |
| C13 | N5 | C8 | H45 | 180.0° | 180.0° |
| C13 | N5 | C8 | C7 | 112.1° | 109.3° |
| C13 | N5 | C8 | H2 | 6.0° | 10.8° |
| N5 | C13 | C14 | H27 | 93.3° | 95.6° |
| C8 | N5 | C13 | O3 | 1.5° | 1.8° |
| N5 | C8 | C7 | H2 | 118.8° | 120.0° |
| N5 | C8 | C7 | O4 | 80.7° | 68.1° |
| N5 | C8 | C7 | N3 | 96.0° | 111.6° |
| N5 | C8 | C9 | H5 | 177.2° | 54.8° |
| N5 | C8 | C9 | H6 | 63.7° | 174.8° |
| C31 | N9 | C | H49 | 180.0° | 180.0° |
| C31 | N9 | C | C1 | 175.5° | 179.9° |
| N9 | C31 | H40 | H41 | 117.4° | 120.5° |
| N1 | C2 | N2 | N | 179.5° | 179.9° |
| N1 | C2 | N | C1 | 0.9° | 180.0° |
| N1 | C2 | N2 | H3 | 179.5° | 0.1° |
| N1 | C2 | N2 | H4 | 0.5° | 180.0° |
| N1 | C2 | N | H20 | 179.2° | 0.1° |
| O3 | C13 | C14 | H27 | 84.0° | 84.5° |
| O3 | C13 | N5 | H45 | 178.5° | 178.2° |
| C8 | C7 | O4 | N3 | 176.4° | 179.6° |
| C8 | C7 | N3 | C6 | 171.8° | 177.6° |
| C7 | C8 | C9 | H5 | 63.1° | 65.0° |
| C7 | C8 | C9 | H6 | 56.0° | 55.0° |
| C8 | C7 | N3 | H12 | 8.2° | 2.4° |
| C7 | C8 | N5 | H45 | 67.9° | 70.7° |
| O4 | C7 | N3 | C6 | 4.8° | 2.7° |
| O4 | C7 | C8 | H2 | 160.5° | 51.9° |
| O4 | C7 | N3 | H12 | 175.2° | 177.3° |
| N9 | C | C1 | N | 30.1° | 85.7° |
| N9 | C | C1 | C3 | 90.9° | 154.3° |
| N9 | C | C1 | H7 | 151.3° | 34.3° |
| C | N9 | C31 | H40 | 50.5° | 38.2° |
| C | N9 | C31 | H41 | 168.9° | 82.4° |
| C | C1 | N | C2 | 73.4° | 85.0° |
| C | C1 | N | C3 | 121.1° | 120.0° |
| C | C1 | N | H7 | 120.6° | 120.0° |
| C | C1 | C3 | H7 | 117.7° | 120.0° |
| C | C1 | C3 | C4 | 57.5° | 118.4° |
| C | C1 | C3 | H15 | 63.4° | 1.6° |
| C | C1 | C3 | H16 | 178.3° | 121.6° |
| C | C1 | N | H20 | 106.6° | 95.0° |
| C1 | C | N9 | H49 | 4.5° | 0.1° |
| C7 | N3 | C6 | H12 | 180.0° | 180.0° |
| C7 | N3 | C6 | C5 | 96.4° | 47.3° |
| N3 | C7 | C8 | H2 | 22.8° | 128.5° |
| C7 | N3 | C6 | H10 | 143.3° | 167.2° |
| C7 | N3 | C6 | H11 | 24.0° | 72.5° |
| N2 | C2 | N | C1 | 178.7° | 0.1° |
| N2 | C2 | N1 | H1 | 179.5° | 180.0° |
| C2 | N2 | H3 | H4 | 180.0° | 179.9° |
| N2 | C2 | N | H20 | 1.2° | 180.0° |
| C2 | N | C1 | H20 | 180.0° | 180.0° |
| C2 | N | C1 | C3 | 165.5° | 155.0° |
| N | C2 | N1 | H1 | 0.0° | 0.1° |
| N | C2 | N2 | H3 | 0.0° | 180.0° |
| N | C2 | N2 | H4 | 180.0° | 0.1° |
| C2 | N | C1 | H7 | 47.2° | 35.0° |
| N | C1 | C3 | H7 | 119.0° | 120.0° |
| N | C1 | C3 | C4 | 179.2° | 121.6° |
| N | C1 | C3 | H15 | 60.0° | 118.4° |
| N | C1 | C3 | H16 | 58.3° | 1.6° |
| C1 | C3 | C4 | H15 | 120.9° | 120.0° |
| C1 | C3 | C4 | H16 | 120.8° | 120.0° |
| C1 | C3 | C4 | C5 | 172.4° | 121.2° |
| C1 | C3 | C4 | H13 | 52.1° | 1.1° |
| C1 | C3 | C4 | H14 | 67.2° | 118.8° |
| C1 | C3 | H15 | H16 | 117.3° | 120.0° |
| C3 | C1 | N | H20 | 14.5° | 25.0° |
| C3 | C4 | C5 | H13 | 120.3° | 120.0° |
| C3 | C4 | C5 | H14 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 176.2° | 132.0° |
| C4 | C3 | C1 | H7 | 60.2° | 1.6° |
| C3 | C4 | C5 | H8 | 63.0° | 11.9° |
| C3 | C4 | C5 | H9 | 55.4° | 108.0° |
| C3 | C4 | H13 | H14 | 119.0° | 119.9° |
| C4 | C3 | H15 | H16 | 117.3° | 120.0° |
| C4 | C5 | C6 | N3 | 55.4° | 150.2° |
| C4 | C5 | C6 | H8 | 120.8° | 120.1° |
| C4 | C5 | C6 | H9 | 120.8° | 120.0° |
| C4 | C5 | H8 | H9 | 117.5° | 119.8° |
| C4 | C5 | C6 | H10 | 175.7° | 89.9° |
| C4 | C5 | C6 | H11 | 64.9° | 30.4° |
| C5 | C4 | H13 | H14 | 118.9° | 120.0° |
| C5 | C4 | C3 | H15 | 66.7° | 1.1° |
| C5 | C4 | C3 | H16 | 51.6° | 118.8° |
| N3 | C6 | C5 | H10 | 120.3° | 119.9° |
| N3 | C6 | C5 | H11 | 120.3° | 119.8° |
| N3 | C6 | C5 | H8 | 176.2° | 89.7° |
| N3 | C6 | C5 | H9 | 65.4° | 30.2° |
| N3 | C6 | H10 | H11 | 119.0° | 120.3° |
| C6 | C5 | H8 | H9 | 117.6° | 119.9° |
| C5 | C6 | H10 | H11 | 119.1° | 120.2° |
| C5 | C6 | N3 | H12 | 83.6° | 132.7° |
| C6 | C5 | C4 | H13 | 55.8° | 108.0° |
| C6 | C5 | C4 | H14 | 63.5° | 12.0° |
| H2 | C8 | C9 | H5 | 56.6° | 174.9° |
| H2 | C8 | C9 | H6 | 175.7° | 65.1° |
| H2 | C8 | N5 | H45 | 174.0° | 169.2° |
| H5 | C9 | C10 | H21 | 72.6° | 179.9° |
| H5 | C9 | C10 | H22 | 168.9° | 60.0° |
| H6 | C9 | C10 | H21 | 46.6° | 60.1° |
| H6 | C9 | C10 | H22 | 72.0° | 180.0° |
| H7 | C1 | C3 | H15 | 178.9° | 121.6° |
| H7 | C1 | C3 | H16 | 60.6° | 118.4° |
| H7 | C1 | N | H20 | 132.8° | 145.0° |
| H8 | C5 | C6 | H10 | 63.5° | 30.2° |
| H8 | C5 | C6 | H11 | 55.9° | 150.5° |
| H8 | C5 | C4 | H13 | 176.6° | 131.9° |
| H8 | C5 | C4 | H14 | 57.3° | 108.1° |
| H9 | C5 | C6 | H10 | 55.0° | 150.1° |
| H9 | C5 | C6 | H11 | 174.3° | 89.6° |
| H9 | C5 | C4 | H13 | 65.0° | 12.0° |
| H9 | C5 | C4 | H14 | 175.7° | 132.0° |
| H10 | C6 | N3 | H12 | 36.7° | 12.8° |
| H11 | C6 | N3 | H12 | 156.0° | 107.5° |
| H13 | C4 | C3 | H15 | 173.0° | 118.9° |
| H13 | C4 | C3 | H16 | 68.8° | 121.1° |
| H14 | C4 | C3 | H15 | 53.7° | 121.2° |
| H14 | C4 | C3 | H16 | 171.9° | 1.2° |
| H17 | N4 | C12 | H25 | 59.4° | 176.1° |
| H17 | N4 | C12 | H26 | 59.4° | 63.9° |
| H18 | N4 | C12 | H25 | 60.6° | 60.0° |
| H18 | N4 | C12 | H26 | 179.4° | 60.0° |
| H21 | C10 | C11 | H23 | 178.7° | 180.0° |
| H21 | C10 | C11 | H24 | 59.2° | 60.0° |
| H22 | C10 | C11 | H23 | 62.8° | 60.0° |
| H22 | C10 | C11 | H24 | 177.8° | 180.0° |
| H23 | C11 | C12 | H25 | 171.6° | 60.0° |
| H23 | C11 | C12 | H26 | 52.8° | 180.0° |
| H24 | C11 | C12 | H25 | 68.9° | 180.0° |
| H24 | C11 | C12 | H26 | 172.3° | 60.0° |
| H27 | C14 | C15 | H28 | 37.9° | 61.7° |
| H27 | C14 | C15 | H29 | 81.6° | 178.3° |
| H27 | C14 | N7 | H47 | 163.6° | 90.4° |
| H30 | C17 | N6 | H46 | 0.2° | 0.0° |
| H31 | C20 | C21 | H32 | 1.3° | 0.0° |
| H32 | C21 | C22 | H33 | 0.6° | 0.1° |
| H33 | C22 | C23 | H34 | 0.7° | 0.1° |
| H38 | C29 | N8 | H48 | 178.3° | 92.6° |
| H39 | C29 | N8 | H48 | 59.1° | 147.1° |
| H40 | C31 | N9 | H49 | 129.4° | 141.9° |
| H41 | C31 | N9 | H49 | 11.1° | 97.6° |
| H42 | C32 | C33 | H43 | 0.5° | 0.5° |
| H43 | C33 | C34 | H44 | 1.1° | 0.2° |
