V88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C17 | sing | 1.47Å | 1.47Å | |
| N4 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | N1 | sing | 1.47Å | 1.48Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C14 | N3 | sing | 1.46Å | 1.46Å | |
| N1 | C11 | sing | 1.47Å | 1.48Å | |
| N3 | C13 | sing | 1.38Å | 1.35Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C13 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | N | sing | 1.47Å | 1.46Å | |
| C5 | C12 | sing | 1.53Å | 1.50Å | |
| N5 | C18 | doub | 1.34Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C4 | N | sing | 1.38Å | 1.38Å | |
| C4 | C3 | doub | 1.42Å | 1.44Å | Aromatic |
| C18 | C3 | sing | 1.42Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.37Å | 1.37Å | Aromatic |
| C20 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | O1 | sing | 1.36Å | 1.36Å | |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O1 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C31 | N6 | sing | 1.48Å | 1.50Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| N6 | C23 | sing | 1.47Å | 1.47Å | |
| N6 | C24 | sing | 1.48Å | 1.54Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.08Å | 1.08Å | |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.08Å | 1.08Å | |
| C29 | H44 | sing | 1.08Å | 1.08Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N4 | C17 | 108.8° | 111.0° |
| C16 | N4 | C15 | 111.8° | 111.0° |
| N4 | C16 | H26 | 109.5° | 109.5° |
| N4 | C16 | H28 | 109.5° | 109.5° |
| N4 | C16 | H27 | 109.4° | 109.5° |
| C17 | N4 | C15 | 111.4° | 111.0° |
| N4 | C17 | H30 | 109.5° | 109.5° |
| N4 | C17 | H29 | 109.5° | 109.5° |
| N4 | C17 | H31 | 109.5° | 109.4° |
| N4 | C15 | C14 | 112.5° | 109.5° |
| N4 | C15 | H25 | 108.7° | 109.5° |
| N4 | C15 | H24 | 108.7° | 109.4° |
| C15 | C14 | N3 | 111.9° | 109.5° |
| C14 | C15 | H25 | 108.7° | 109.5° |
| C14 | C15 | H24 | 108.7° | 109.5° |
| C15 | C14 | H22 | 108.9° | 109.5° |
| C15 | C14 | H23 | 108.9° | 109.5° |
| C9 | C8 | C10 | 111.4° | 109.5° |
| C9 | C8 | N1 | 110.9° | 109.5° |
| C9 | C8 | H10 | 107.1° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.4° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| C10 | C8 | N1 | 112.5° | 109.5° |
| C10 | C8 | H10 | 107.0° | 109.4° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H16 | 109.5° | 109.4° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C8 | N1 | C7 | 112.1° | 111.0° |
| C8 | N1 | C11 | 115.9° | 111.0° |
| N1 | C8 | H10 | 107.6° | 109.5° |
| N1 | C7 | C6 | 111.5° | 109.5° |
| C7 | N1 | C11 | 111.4° | 111.2° |
| N1 | C7 | H8 | 109.0° | 109.5° |
| N1 | C7 | H9 | 109.0° | 109.5° |
| C7 | C6 | C5 | 110.3° | 109.3° |
| C7 | C6 | H6 | 109.3° | 109.6° |
| C7 | C6 | H7 | 109.2° | 109.5° |
| C6 | C7 | H8 | 108.9° | 109.4° |
| C6 | C7 | H9 | 109.0° | 109.4° |
| C14 | N3 | C13 | 123.9° | 120.0° |
| C14 | N3 | H21 | 105.7° | 120.0° |
| N3 | C14 | H22 | 108.9° | 109.5° |
| N3 | C14 | H23 | 108.9° | 109.4° |
| N1 | C11 | C12 | 112.2° | 109.5° |
| N1 | C11 | H18 | 108.8° | 109.5° |
| N1 | C11 | H17 | 108.8° | 109.4° |
| N3 | C13 | N2 | 117.3° | 118.7° |
| N3 | C13 | N5 | 116.1° | 118.6° |
| C13 | N3 | H21 | 105.8° | 120.0° |
| C6 | C5 | N | 108.4° | 109.5° |
| C6 | C5 | C12 | 109.3° | 109.2° |
| C6 | C5 | H5 | 107.1° | 109.6° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| C5 | C6 | H7 | 109.3° | 109.5° |
| N2 | C13 | N5 | 126.6° | 122.7° |
| C13 | N2 | C4 | 117.4° | 121.5° |
| C13 | N5 | C18 | 116.4° | 120.4° |
| N2 | C4 | N | 119.2° | 120.8° |
| N2 | C4 | C3 | 121.7° | 118.4° |
| N | C5 | C12 | 116.9° | 109.5° |
| C5 | N | C4 | 126.7° | 120.0° |
| N | C5 | H5 | 107.7° | 109.5° |
| C5 | N | H4 | 105.0° | 120.0° |
| C5 | C12 | C11 | 109.8° | 109.3° |
| C12 | C5 | H5 | 107.1° | 109.5° |
| C5 | C12 | H20 | 109.4° | 109.5° |
| C5 | C12 | H19 | 109.4° | 109.5° |
| N5 | C18 | C3 | 122.1° | 118.8° |
| N5 | C18 | C19 | 118.5° | 121.8° |
| C12 | C11 | H18 | 108.8° | 109.5° |
| C12 | C11 | H17 | 108.8° | 109.5° |
| C11 | C12 | H20 | 109.4° | 109.5° |
| C11 | C12 | H19 | 109.4° | 109.5° |
| N | C4 | C3 | 119.1° | 120.8° |
| C4 | N | H4 | 105.0° | 120.0° |
| C4 | C3 | C18 | 115.5° | 118.2° |
| C4 | C3 | C2 | 125.2° | 121.9° |
| C3 | C18 | C19 | 119.3° | 119.4° |
| C18 | C3 | C2 | 118.9° | 119.9° |
| C18 | C19 | C20 | 120.5° | 119.6° |
| C18 | C19 | H32 | 119.7° | 120.2° |
| C3 | C2 | C1 | 120.2° | 119.7° |
| C3 | C2 | H3 | 119.9° | 120.1° |
| C19 | C20 | C1 | 120.8° | 120.7° |
| C19 | C20 | O1 | 126.6° | 119.7° |
| C20 | C19 | H32 | 119.8° | 120.2° |
| C2 | C1 | C20 | 120.3° | 120.7° |
| C2 | C1 | O | 125.7° | 119.6° |
| C1 | C2 | H3 | 119.9° | 120.2° |
| C1 | C20 | O1 | 112.6° | 119.6° |
| C20 | C1 | O | 114.0° | 119.7° |
| C20 | O1 | C21 | 118.2° | 117.0° |
| C1 | O | C | 117.7° | 117.0° |
| O1 | C21 | C22 | 105.7° | 109.5° |
| O1 | C21 | H34 | 110.4° | 109.5° |
| O1 | C21 | H33 | 110.4° | 109.5° |
| C21 | C22 | C23 | 112.4° | 109.4° |
| C22 | C21 | H34 | 110.4° | 109.5° |
| C22 | C21 | H33 | 110.4° | 109.5° |
| C21 | C22 | H35 | 108.7° | 109.5° |
| C21 | C22 | H36 | 108.7° | 109.5° |
| O | C | H2 | 109.5° | 109.5° |
| O | C | H | 109.5° | 109.5° |
| O | C | H1 | 109.5° | 109.4° |
| C22 | C23 | N6 | 116.2° | 109.4° |
| C23 | C22 | H35 | 108.7° | 109.5° |
| C23 | C22 | H36 | 108.7° | 109.5° |
| C22 | C23 | H37 | 107.8° | 109.5° |
| C22 | C23 | H38 | 107.8° | 109.5° |
| C30 | C31 | N6 | 104.1° | 105.7° |
| C31 | C30 | C29 | 129.0° | 131.8° |
| C31 | C30 | C25 | 111.2° | 108.2° |
| C30 | C31 | H46 | 110.8° | 110.2° |
| C30 | C31 | H45 | 110.8° | 110.2° |
| C31 | N6 | C23 | 119.0° | 110.9° |
| C31 | N6 | C24 | 108.3° | 103.8° |
| N6 | C31 | H46 | 110.8° | 110.2° |
| N6 | C31 | H45 | 110.8° | 110.2° |
| C30 | C29 | C28 | 119.7° | 120.1° |
| C29 | C30 | C25 | 119.8° | 120.0° |
| C30 | C29 | H44 | 120.1° | 120.0° |
| C29 | C28 | C27 | 120.4° | 120.0° |
| C29 | C28 | H43 | 119.8° | 120.0° |
| C28 | C29 | H44 | 120.2° | 119.9° |
| C30 | C25 | C24 | 110.9° | 108.3° |
| C30 | C25 | C26 | 120.0° | 120.0° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | H43 | 119.8° | 120.0° |
| C28 | C27 | H42 | 119.9° | 119.9° |
| C23 | N6 | C24 | 117.0° | 111.0° |
| N6 | C23 | H37 | 107.7° | 109.5° |
| N6 | C23 | H38 | 107.8° | 109.5° |
| N6 | C24 | C25 | 103.2° | 105.7° |
| N6 | C24 | H40 | 111.0° | 110.2° |
| N6 | C24 | H39 | 111.0° | 110.1° |
| C24 | C25 | C26 | 129.1° | 131.8° |
| C25 | C24 | H40 | 111.0° | 110.3° |
| C25 | C24 | H39 | 111.0° | 110.2° |
| C25 | C26 | C27 | 119.9° | 120.1° |
| C25 | C26 | H41 | 120.1° | 120.0° |
| C27 | C26 | H41 | 120.0° | 120.0° |
| C26 | C27 | H42 | 119.9° | 120.0° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H14 | C10 | H16 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C10 | H15 | 109.4° | 109.6° |
| H25 | C15 | H24 | 109.5° | 109.5° |
| H30 | C17 | H29 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.4° | 109.5° |
| H29 | C17 | H31 | 109.5° | 109.5° |
| H34 | C21 | H33 | 109.5° | 109.4° |
| H35 | C22 | H36 | 109.5° | 109.5° |
| H40 | C24 | H39 | 109.4° | 110.2° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H18 | C11 | H17 | 109.5° | 109.5° |
| H20 | C12 | H19 | 109.5° | 109.6° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H26 | C16 | H28 | 109.5° | 109.4° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H28 | C16 | H27 | 109.5° | 109.4° |
| H37 | C23 | H38 | 109.5° | 109.5° |
| H46 | C31 | H45 | 109.5° | 110.3° |
| H13 | C9 | H11 | 109.5° | 109.5° |
| H13 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N4 | C17 | C15 | 123.7° | 124.0° |
| C16 | N4 | C15 | C14 | 178.0° | 66.0° |
| C16 | N4 | C15 | H25 | 57.5° | 174.0° |
| C16 | N4 | C15 | H24 | 61.6° | 54.0° |
| C16 | N4 | C17 | H30 | 180.0° | 56.0° |
| C16 | N4 | C17 | H29 | 60.0° | 176.0° |
| C16 | N4 | C17 | H31 | 60.0° | 64.0° |
| N4 | C16 | H26 | H28 | 120.0° | 120.0° |
| N4 | C16 | H26 | H27 | 120.0° | 120.1° |
| N4 | C16 | H28 | H27 | 120.0° | 120.1° |
| C17 | N4 | C15 | C14 | 60.0° | 170.0° |
| C17 | N4 | C15 | H25 | 179.6° | 50.0° |
| C17 | N4 | C15 | H24 | 60.4° | 70.0° |
| N4 | C17 | H30 | H29 | 120.0° | 120.0° |
| N4 | C17 | H30 | H31 | 120.0° | 120.0° |
| N4 | C17 | H29 | H31 | 120.0° | 120.0° |
| C17 | N4 | C16 | H26 | 180.0° | 60.1° |
| C17 | N4 | C16 | H28 | 60.0° | 180.0° |
| C17 | N4 | C16 | H27 | 60.0° | 60.0° |
| N4 | C15 | C14 | H25 | 120.5° | 120.1° |
| N4 | C15 | C14 | H24 | 120.4° | 119.9° |
| N4 | C15 | C14 | N3 | 55.7° | 180.0° |
| N4 | C15 | H25 | H24 | 118.6° | 120.0° |
| C15 | N4 | C17 | H30 | 56.3° | 180.0° |
| C15 | N4 | C17 | H29 | 63.8° | 60.0° |
| C15 | N4 | C17 | H31 | 176.2° | 60.0° |
| N4 | C15 | C14 | H22 | 176.1° | 59.9° |
| N4 | C15 | C14 | H23 | 64.7° | 60.1° |
| C15 | N4 | C16 | H26 | 56.5° | 64.0° |
| C15 | N4 | C16 | H28 | 176.5° | 56.0° |
| C15 | N4 | C16 | H27 | 63.5° | 176.0° |
| C15 | C14 | N3 | H22 | 120.4° | 120.1° |
| C15 | C14 | N3 | H23 | 120.4° | 120.0° |
| C15 | C14 | N3 | C13 | 87.2° | 180.0° |
| C15 | C14 | N3 | H21 | 150.8° | 0.0° |
| C14 | C15 | H25 | H24 | 118.6° | 120.0° |
| C15 | C14 | H22 | H23 | 118.9° | 120.0° |
| C9 | C8 | C10 | N1 | 125.2° | 120.0° |
| C9 | C8 | C10 | H10 | 116.8° | 120.0° |
| C9 | C8 | N1 | H10 | 116.9° | 120.0° |
| C9 | C8 | N1 | C7 | 170.0° | 65.8° |
| C9 | C8 | N1 | C11 | 60.5° | 170.0° |
| C9 | C8 | C10 | H14 | 180.0° | 60.0° |
| C9 | C8 | C10 | H16 | 60.0° | 59.9° |
| C9 | C8 | C10 | H15 | 60.0° | 180.0° |
| C8 | C9 | H13 | H11 | 120.0° | 120.0° |
| C8 | C9 | H13 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H12 | 120.0° | 119.9° |
| C10 | C8 | N1 | H10 | 117.6° | 120.0° |
| C10 | C8 | N1 | C7 | 64.5° | 54.2° |
| C10 | C8 | N1 | C11 | 65.0° | 70.0° |
| C8 | C10 | H14 | H16 | 120.0° | 119.9° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C8 | C10 | H16 | H15 | 120.0° | 120.0° |
| C10 | C8 | C9 | H13 | 180.0° | 60.0° |
| C10 | C8 | C9 | H11 | 60.0° | 179.9° |
| C10 | C8 | C9 | H12 | 60.0° | 60.0° |
| C8 | N1 | C7 | C11 | 131.8° | 124.1° |
| C8 | N1 | C7 | C6 | 160.9° | 174.1° |
| C8 | N1 | C11 | C12 | 165.8° | 174.1° |
| C8 | N1 | C7 | H8 | 78.8° | 54.1° |
| C8 | N1 | C7 | H9 | 40.6° | 65.9° |
| N1 | C8 | C10 | H14 | 54.8° | 60.1° |
| N1 | C8 | C10 | H16 | 174.8° | 180.0° |
| N1 | C8 | C10 | H15 | 65.3° | 60.0° |
| C8 | N1 | C11 | H18 | 73.7° | 65.8° |
| C8 | N1 | C11 | H17 | 45.4° | 54.2° |
| N1 | C8 | C9 | H13 | 53.8° | 60.0° |
| N1 | C8 | C9 | H11 | 66.2° | 60.1° |
| N1 | C8 | C9 | H12 | 173.9° | 180.0° |
| N1 | C7 | C6 | H8 | 120.3° | 120.1° |
| N1 | C7 | C6 | H9 | 120.3° | 120.1° |
| N1 | C7 | C6 | C5 | 34.5° | 59.2° |
| C7 | N1 | C11 | C12 | 64.3° | 61.8° |
| N1 | C7 | C6 | H6 | 154.7° | 179.1° |
| N1 | C7 | C6 | H7 | 85.6° | 60.8° |
| N1 | C7 | H8 | H9 | 119.1° | 120.0° |
| C7 | N1 | C8 | H10 | 53.1° | 174.2° |
| C7 | N1 | C11 | H18 | 56.1° | 58.2° |
| C7 | N1 | C11 | H17 | 175.3° | 178.2° |
| C6 | C7 | N1 | C11 | 29.1° | 61.8° |
| C7 | C6 | C5 | H6 | 120.1° | 120.0° |
| C7 | C6 | C5 | H7 | 120.1° | 119.9° |
| C7 | C6 | C5 | N | 163.1° | 62.3° |
| C7 | C6 | C5 | C12 | 68.5° | 57.6° |
| C7 | C6 | C5 | H5 | 47.2° | 177.6° |
| C7 | C6 | H6 | H7 | 119.6° | 120.1° |
| C6 | C7 | H8 | H9 | 119.1° | 119.9° |
| C14 | N3 | C13 | H21 | 122.0° | 180.0° |
| C14 | N3 | C13 | N2 | 0.8° | 180.0° |
| C14 | N3 | C13 | N5 | 179.3° | 0.0° |
| N3 | C14 | C15 | H25 | 64.8° | 59.9° |
| N3 | C14 | C15 | H24 | 176.1° | 60.0° |
| N3 | C14 | H22 | H23 | 118.9° | 119.9° |
| N1 | C11 | C12 | C5 | 29.4° | 59.2° |
| N1 | C11 | C12 | H18 | 120.4° | 120.0° |
| N1 | C11 | C12 | H17 | 120.4° | 119.9° |
| C11 | N1 | C7 | H8 | 149.4° | 178.2° |
| C11 | N1 | C7 | H9 | 91.2° | 58.2° |
| C11 | N1 | C8 | H10 | 177.4° | 50.0° |
| N1 | C11 | H18 | H17 | 118.7° | 119.9° |
| N1 | C11 | C12 | H20 | 90.7° | 60.7° |
| N1 | C11 | C12 | H19 | 149.4° | 179.1° |
| N3 | C13 | N2 | N5 | 178.3° | 180.0° |
| N3 | C13 | N2 | C4 | 179.1° | 179.9° |
| N3 | C13 | N5 | C18 | 176.8° | 179.7° |
| C13 | N3 | C14 | H22 | 33.2° | 59.9° |
| C13 | N3 | C14 | H23 | 152.4° | 60.0° |
| C6 | C5 | N | C12 | 124.0° | 119.7° |
| C6 | C5 | N | H5 | 115.5° | 120.2° |
| C6 | C5 | C12 | H5 | 115.7° | 120.0° |
| C6 | C5 | C12 | C11 | 33.4° | 57.7° |
| C6 | C5 | N | C4 | 147.9° | 85.3° |
| C5 | C6 | H6 | H7 | 119.6° | 120.1° |
| C5 | C6 | C7 | H8 | 85.8° | 179.2° |
| C5 | C6 | C7 | H9 | 154.8° | 60.9° |
| C6 | C5 | N | H4 | 25.6° | 94.7° |
| C6 | C5 | C12 | H20 | 153.4° | 62.3° |
| C6 | C5 | C12 | H19 | 86.6° | 177.6° |
| N2 | C13 | N5 | C18 | 1.4° | 0.3° |
| C13 | N2 | C4 | N | 178.6° | 180.0° |
| C13 | N2 | C4 | C3 | 2.6° | 0.2° |
| N2 | C13 | N3 | H21 | 122.8° | 0.0° |
| N5 | C13 | N2 | C4 | 2.7° | 0.0° |
| C13 | N5 | C18 | C3 | 5.7° | 0.2° |
| C13 | N5 | C18 | C19 | 171.4° | 179.8° |
| N5 | C13 | N3 | H21 | 58.8° | 180.0° |
| N2 | C4 | N | C5 | 4.4° | 0.3° |
| N2 | C4 | N | C3 | 178.9° | 179.8° |
| N2 | C4 | C3 | C18 | 1.3° | 0.2° |
| N2 | C4 | C3 | C2 | 174.4° | 179.8° |
| N2 | C4 | N | H4 | 126.7° | 179.7° |
| N | C5 | C12 | H5 | 120.8° | 120.1° |
| N | C5 | C12 | C11 | 156.9° | 62.3° |
| C5 | N | C4 | H4 | 122.3° | 180.0° |
| C5 | N | C4 | C3 | 174.5° | 180.0° |
| N | C5 | C6 | H6 | 42.9° | 57.7° |
| N | C5 | C6 | H7 | 76.8° | 177.8° |
| N | C5 | C12 | H20 | 83.1° | 177.8° |
| N | C5 | C12 | H19 | 36.9° | 57.7° |
| C5 | C12 | C11 | H20 | 120.0° | 119.9° |
| C5 | C12 | C11 | H19 | 120.1° | 119.9° |
| C12 | C5 | N | C4 | 88.1° | 155.0° |
| C12 | C5 | C6 | H6 | 171.3° | 177.6° |
| C12 | C5 | C6 | H7 | 51.6° | 62.3° |
| C12 | C5 | N | H4 | 149.6° | 25.0° |
| C5 | C12 | C11 | H18 | 91.0° | 60.8° |
| C5 | C12 | C11 | H17 | 149.8° | 179.1° |
| C5 | C12 | H20 | H19 | 119.9° | 120.1° |
| N5 | C18 | C3 | C4 | 5.6° | 0.0° |
| N5 | C18 | C3 | C19 | 177.0° | 180.0° |
| N5 | C18 | C3 | C2 | 179.2° | 180.0° |
| N5 | C18 | C19 | C20 | 178.9° | 180.0° |
| N5 | C18 | C19 | H32 | 1.1° | 0.0° |
| C11 | C12 | C5 | H5 | 82.2° | 177.7° |
| C12 | C11 | H18 | H17 | 118.7° | 120.0° |
| C11 | C12 | H20 | H19 | 119.8° | 120.2° |
| N | C4 | C3 | C18 | 177.6° | 180.0° |
| N | C4 | C3 | C2 | 4.4° | 0.0° |
| C4 | N | C5 | H5 | 32.5° | 34.9° |
| C4 | C3 | C18 | C2 | 173.6° | 180.0° |
| C4 | C3 | C18 | C19 | 171.4° | 180.0° |
| C4 | C3 | C2 | C1 | 172.1° | 180.0° |
| C3 | C4 | N | H4 | 52.1° | 0.0° |
| C4 | C3 | C2 | H3 | 7.9° | 0.1° |
| C3 | C18 | C19 | C20 | 1.8° | 0.0° |
| C18 | C3 | C2 | C1 | 0.8° | 0.1° |
| C3 | C18 | C19 | H32 | 178.2° | 180.0° |
| C18 | C3 | C2 | H3 | 179.2° | 179.9° |
| C19 | C18 | C3 | C2 | 2.2° | 0.0° |
| C18 | C19 | C20 | H32 | 180.0° | 179.9° |
| C18 | C19 | C20 | C1 | 0.0° | 0.0° |
| C18 | C19 | C20 | O1 | 178.0° | 179.9° |
| C3 | C2 | C1 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | C20 | 0.9° | 0.1° |
| C3 | C2 | C1 | O | 176.7° | 179.9° |
| C19 | C20 | C1 | C2 | 1.3° | 0.0° |
| C19 | C20 | C1 | O1 | 178.2° | 179.9° |
| C19 | C20 | C1 | O | 176.6° | 180.0° |
| C19 | C20 | O1 | C21 | 15.7° | 0.1° |
| C2 | C1 | C20 | O | 177.9° | 180.0° |
| C2 | C1 | C20 | O1 | 176.9° | 180.0° |
| C2 | C1 | O | C | 5.3° | 0.0° |
| C1 | C20 | O1 | C21 | 166.1° | 180.0° |
| C20 | C1 | O | C | 176.9° | 180.0° |
| C1 | C20 | C19 | H32 | 180.0° | 179.9° |
| C20 | C1 | C2 | H3 | 179.0° | 179.9° |
| O1 | C20 | C1 | O | 5.2° | 0.0° |
| C20 | O1 | C21 | C22 | 170.1° | 180.0° |
| C20 | O1 | C21 | H34 | 50.7° | 60.0° |
| C20 | O1 | C21 | H33 | 70.5° | 60.0° |
| O1 | C20 | C19 | H32 | 2.0° | 0.0° |
| C1 | O | C | H2 | 180.0° | 180.0° |
| C1 | O | C | H | 60.0° | 59.9° |
| C1 | O | C | H1 | 60.0° | 60.0° |
| O | C1 | C2 | H3 | 3.3° | 0.1° |
| O1 | C21 | C22 | H34 | 119.4° | 120.0° |
| O1 | C21 | C22 | H33 | 119.4° | 120.0° |
| O1 | C21 | C22 | C23 | 58.1° | 180.0° |
| O1 | C21 | H34 | H33 | 121.8° | 119.9° |
| O1 | C21 | C22 | H35 | 178.6° | 60.0° |
| O1 | C21 | C22 | H36 | 62.3° | 60.0° |
| C21 | C22 | C23 | H35 | 120.4° | 120.0° |
| C21 | C22 | C23 | H36 | 120.5° | 120.0° |
| C21 | C22 | C23 | N6 | 72.6° | 180.0° |
| C22 | C21 | H34 | H33 | 121.7° | 120.0° |
| C21 | C22 | H35 | H36 | 118.7° | 120.0° |
| C21 | C22 | C23 | H37 | 48.4° | 60.0° |
| C21 | C22 | C23 | H38 | 166.4° | 60.0° |
| O | C | H2 | H | 120.0° | 120.0° |
| O | C | H2 | H1 | 120.0° | 120.0° |
| O | C | H | H1 | 120.0° | 119.9° |
| C22 | C23 | N6 | C31 | 53.4° | 170.0° |
| C22 | C23 | N6 | H37 | 121.0° | 120.0° |
| C22 | C23 | N6 | H38 | 121.0° | 120.0° |
| C22 | C23 | N6 | C24 | 173.4° | 75.1° |
| C23 | C22 | C21 | H34 | 61.2° | 60.0° |
| C23 | C22 | C21 | H33 | 177.6° | 60.0° |
| C23 | C22 | H35 | H36 | 118.7° | 120.0° |
| C22 | C23 | H37 | H38 | 117.0° | 120.0° |
| C30 | C31 | N6 | H46 | 119.1° | 119.0° |
| C30 | C31 | N6 | H45 | 119.2° | 119.1° |
| C31 | C30 | C29 | C25 | 177.1° | 179.9° |
| C31 | C30 | C29 | C28 | 177.0° | 180.0° |
| C30 | C31 | N6 | C23 | 152.2° | 147.0° |
| C30 | C31 | N6 | C24 | 15.3° | 27.7° |
| C31 | C30 | C25 | C24 | 1.9° | 0.0° |
| C31 | C30 | C25 | C26 | 178.0° | 180.0° |
| C31 | C30 | C29 | H44 | 3.0° | 0.1° |
| C30 | C31 | H46 | H45 | 122.5° | 121.9° |
| N6 | C31 | C30 | C29 | 171.8° | 162.5° |
| N6 | C31 | C30 | C25 | 10.9° | 17.6° |
| C31 | N6 | C23 | C24 | 133.2° | 114.9° |
| C31 | N6 | C24 | C25 | 14.2° | 27.7° |
| C31 | N6 | C24 | H40 | 133.3° | 91.5° |
| C31 | N6 | C24 | H39 | 104.8° | 146.7° |
| C31 | N6 | C23 | H37 | 174.3° | 70.0° |
| C31 | N6 | C23 | H38 | 67.6° | 50.1° |
| N6 | C31 | H46 | H45 | 122.5° | 121.9° |
| C30 | C29 | C28 | H44 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.7° | 0.1° |
| C29 | C30 | C25 | C24 | 179.5° | 180.0° |
| C29 | C30 | C25 | C26 | 0.4° | 0.1° |
| C30 | C29 | C28 | H43 | 179.3° | 180.0° |
| C29 | C30 | C31 | H46 | 52.7° | 43.5° |
| C29 | C30 | C31 | H45 | 69.0° | 78.4° |
| C28 | C29 | C30 | C25 | 0.1° | 0.1° |
| C29 | C28 | C27 | H43 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.7° | 0.0° |
| C29 | C28 | C27 | H42 | 179.3° | 179.9° |
| C30 | C25 | C24 | N6 | 7.6° | 17.5° |
| C30 | C25 | C24 | C26 | 179.9° | 180.0° |
| C30 | C25 | C26 | C27 | 0.4° | 0.0° |
| C30 | C25 | C24 | H40 | 126.6° | 101.6° |
| C30 | C25 | C24 | H39 | 111.4° | 136.6° |
| C30 | C25 | C26 | H41 | 179.6° | 179.9° |
| C25 | C30 | C29 | H44 | 179.9° | 180.0° |
| C25 | C30 | C31 | H46 | 130.0° | 136.6° |
| C25 | C30 | C31 | H45 | 108.3° | 101.5° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C28 | C27 | C26 | H42 | 180.0° | 179.9° |
| C28 | C27 | C26 | H41 | 179.8° | 180.0° |
| C27 | C28 | C29 | H44 | 179.3° | 180.0° |
| C23 | N6 | C24 | C25 | 152.1° | 146.9° |
| N6 | C23 | C22 | H35 | 167.0° | 60.0° |
| N6 | C23 | C22 | H36 | 47.9° | 60.0° |
| C23 | N6 | C24 | H40 | 88.9° | 27.8° |
| C23 | N6 | C24 | H39 | 33.1° | 94.0° |
| N6 | C23 | H37 | H38 | 117.0° | 120.0° |
| C23 | N6 | C31 | H46 | 88.7° | 94.0° |
| C23 | N6 | C31 | H45 | 33.1° | 27.9° |
| N6 | C24 | C25 | H40 | 119.0° | 119.1° |
| N6 | C24 | C25 | H39 | 119.0° | 119.0° |
| N6 | C24 | C25 | C26 | 172.5° | 162.4° |
| N6 | C24 | H40 | H39 | 122.9° | 121.8° |
| C24 | N6 | C23 | H37 | 52.5° | 44.9° |
| C24 | N6 | C23 | H38 | 65.6° | 164.9° |
| C24 | N6 | C31 | H46 | 134.4° | 146.7° |
| C24 | N6 | C31 | H45 | 103.8° | 91.4° |
| C24 | C25 | C26 | C27 | 179.5° | 180.0° |
| C25 | C24 | H40 | H39 | 122.9° | 121.9° |
| C24 | C25 | C26 | H41 | 0.5° | 0.0° |
| C25 | C26 | C27 | H41 | 180.0° | 180.0° |
| C26 | C25 | C24 | H40 | 53.5° | 78.5° |
| C26 | C25 | C24 | H39 | 68.5° | 43.4° |
| C25 | C26 | C27 | H42 | 179.8° | 179.9° |
| C26 | C27 | C28 | H43 | 179.3° | 180.0° |
| H21 | N3 | C14 | H22 | 88.8° | 120.0° |
| H21 | N3 | C14 | H23 | 30.5° | 120.0° |
| H5 | C5 | C6 | H6 | 72.9° | 62.4° |
| H5 | C5 | C6 | H7 | 167.3° | 57.6° |
| H5 | C5 | N | H4 | 89.8° | 145.1° |
| H5 | C5 | C12 | H20 | 37.8° | 57.7° |
| H5 | C5 | C12 | H19 | 157.7° | 62.4° |
| H6 | C6 | C7 | H8 | 34.3° | 60.8° |
| H6 | C6 | C7 | H9 | 85.0° | 59.1° |
| H7 | C6 | C7 | H8 | 154.1° | 59.3° |
| H7 | C6 | C7 | H9 | 34.7° | 179.2° |
| H10 | C8 | C10 | H14 | 63.2° | 179.9° |
| H10 | C8 | C10 | H16 | 56.8° | 60.0° |
| H10 | C8 | C10 | H15 | 176.8° | 60.1° |
| H10 | C8 | C9 | H13 | 63.3° | 180.0° |
| H10 | C8 | C9 | H11 | 176.7° | 60.0° |
| H10 | C8 | C9 | H12 | 56.7° | 59.9° |
| H14 | C10 | H16 | H15 | 120.0° | 120.0° |
| H25 | C15 | C14 | H22 | 55.6° | 180.0° |
| H25 | C15 | C14 | H23 | 174.9° | 60.0° |
| H24 | C15 | C14 | H22 | 63.5° | 60.0° |
| H24 | C15 | C14 | H23 | 55.8° | NaN° |
| H30 | C17 | H29 | H31 | 120.0° | 120.0° |
| H34 | C21 | C22 | H35 | 59.2° | 60.0° |
| H34 | C21 | C22 | H36 | 178.3° | 179.9° |
| H33 | C21 | C22 | H35 | 62.0° | 180.0° |
| H33 | C21 | C22 | H36 | 57.1° | 60.0° |
| H35 | C22 | C23 | H37 | 72.1° | 180.0° |
| H35 | C22 | C23 | H38 | 46.0° | 60.0° |
| H36 | C22 | C23 | H37 | 168.8° | 60.0° |
| H36 | C22 | C23 | H38 | 73.1° | 180.0° |
| H41 | C26 | C27 | H42 | 0.2° | 0.1° |
| H43 | C28 | C27 | H42 | 0.7° | 0.1° |
| H43 | C28 | C29 | H44 | 0.7° | 0.1° |
| H2 | C | H | H1 | 120.0° | 120.0° |
| H18 | C11 | C12 | H20 | 148.9° | 179.3° |
| H18 | C11 | C12 | H19 | 29.0° | 59.1° |
| H17 | C11 | C12 | H20 | 29.7° | 59.2° |
| H17 | C11 | C12 | H19 | 90.2° | 61.0° |
| H26 | C16 | H28 | H27 | 120.0° | 120.0° |
| H13 | C9 | H11 | H12 | 120.0° | 120.1° |
