ODB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C32 | doub | 1.21Å | 1.17Å | |
| O1 | C6 | doub | 1.21Å | 1.14Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.54Å | 1.57Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.53Å | 1.46Å | |
| N7 | C32 | sing | 1.35Å | 1.43Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.27Å | |
| C6 | C7 | sing | 1.51Å | 1.61Å | |
| C6 | N4 | sing | 1.36Å | 1.47Å | |
| O5 | C33 | doub | 1.21Å | 1.16Å | |
| C11 | N5 | sing | 1.46Å | 1.27Å | |
| N3 | C1 | sing | 1.37Å | 1.45Å | |
| N2 | C1 | doub | 1.30Å | 1.42Å | |
| C33 | C5 | sing | 1.51Å | 1.56Å | |
| C33 | N8 | sing | 1.37Å | 1.48Å | |
| C5 | N4 | sing | 1.48Å | 1.46Å | |
| C1 | N1 | sing | 1.37Å | 1.23Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C8 | N5 | sing | 1.47Å | 1.61Å | |
| C31 | N8 | sing | 1.48Å | 1.43Å | |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| N5 | C12 | sing | 1.35Å | 1.47Å | |
| C30 | S1 | sing | 1.81Å | 1.87Å | |
| C12 | O2 | doub | 1.21Å | 1.15Å | |
| C12 | C13 | sing | 1.51Å | 1.60Å | |
| S1 | C29 | sing | 1.81Å | 1.77Å | |
| C13 | N6 | sing | 1.47Å | 1.51Å | |
| C29 | C28 | sing | 1.51Å | 1.59Å | |
| C22 | N6 | sing | 1.47Å | 1.60Å | |
| C22 | C23 | sing | 1.51Å | 1.61Å | |
| N6 | C14 | sing | 1.47Å | 1.45Å | |
| O3 | C21 | sing | 1.43Å | 1.35Å | |
| C28 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.58Å | |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | 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 | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| N2 | H40 | sing | 0.97Å | 1.00Å | |
| N3 | H42 | sing | 0.97Å | 1.00Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| N7 | H45 | sing | 0.97Å | 1.00Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| O3 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C32 | N7 | 121.0° | 120.0° |
| O4 | C32 | C31 | 121.3° | 120.0° |
| O1 | C6 | C7 | 125.9° | 120.5° |
| O1 | C6 | N4 | 123.4° | 120.6° |
| N3 | C2 | C3 | 107.4° | 109.5° |
| C2 | N3 | C1 | 120.1° | 120.0° |
| N3 | C2 | H11 | 109.9° | 109.4° |
| N3 | C2 | H12 | 110.0° | 109.5° |
| C2 | N3 | H42 | 119.9° | 120.0° |
| C2 | C3 | C4 | 109.1° | 109.5° |
| C2 | C3 | H9 | 109.6° | 109.5° |
| C2 | C3 | H10 | 109.6° | 109.5° |
| C3 | C2 | H11 | 110.0° | 109.5° |
| C3 | C2 | H12 | 110.0° | 109.5° |
| C9 | C10 | C11 | 103.3° | 105.7° |
| C10 | C9 | C8 | 106.5° | 106.4° |
| C9 | C10 | H13 | 111.0° | 110.2° |
| C9 | C10 | H14 | 111.0° | 110.2° |
| C10 | C9 | H38 | 110.2° | 110.1° |
| C10 | C9 | H39 | 110.2° | 110.1° |
| C10 | C11 | N5 | 102.2° | 107.7° |
| C11 | C10 | H13 | 111.0° | 110.2° |
| C11 | C10 | H14 | 111.0° | 110.3° |
| C10 | C11 | H15 | 111.3° | 109.8° |
| C10 | C11 | H16 | 111.2° | 109.8° |
| C3 | C4 | C5 | 97.0° | 109.5° |
| C3 | C4 | H7 | 112.5° | 109.5° |
| C3 | C4 | H8 | 112.5° | 109.5° |
| C4 | C3 | H9 | 109.6° | 109.5° |
| C4 | C3 | H10 | 109.5° | 109.5° |
| C4 | C5 | C33 | 112.2° | 109.7° |
| C4 | C5 | N4 | 111.9° | 109.6° |
| C4 | C5 | H6 | 104.5° | 109.6° |
| C5 | C4 | H7 | 112.5° | 109.5° |
| C5 | C4 | H8 | 112.5° | 109.5° |
| N7 | C32 | C31 | 117.6° | 120.0° |
| C32 | N7 | H45 | 120.0° | 120.0° |
| C32 | N7 | H46 | 120.0° | 120.0° |
| C32 | C31 | N8 | 114.9° | 109.6° |
| C32 | C31 | C30 | 111.5° | 109.7° |
| C32 | C31 | H37 | 106.7° | 109.7° |
| C9 | C8 | C7 | 110.4° | 109.8° |
| C9 | C8 | N5 | 106.5° | 108.0° |
| C9 | C8 | H1 | 112.5° | 109.9° |
| C8 | C9 | H38 | 110.2° | 110.1° |
| C8 | C9 | H39 | 110.2° | 110.0° |
| C7 | C6 | N4 | 110.6° | 119.0° |
| C6 | C7 | C8 | 116.6° | 109.5° |
| C6 | C7 | H2 | 107.7° | 109.5° |
| C6 | C7 | H3 | 107.7° | 109.5° |
| C6 | N4 | C5 | 115.9° | 116.3° |
| C6 | N4 | H43 | 122.1° | 121.9° |
| O5 | C33 | C5 | 121.5° | 120.7° |
| O5 | C33 | N8 | 124.7° | 120.7° |
| C11 | N5 | C8 | 107.2° | 109.1° |
| C11 | N5 | C12 | 126.3° | 125.5° |
| N5 | C11 | H15 | 111.2° | 109.8° |
| N5 | C11 | H16 | 111.3° | 109.8° |
| N3 | C1 | N2 | 120.0° | 119.9° |
| N3 | C1 | N1 | 116.7° | 120.0° |
| C1 | N3 | H42 | 120.0° | 119.9° |
| N2 | C1 | N1 | 123.1° | 120.0° |
| C1 | N2 | H40 | 112.0° | 120.0° |
| C5 | C33 | N8 | 113.7° | 118.6° |
| C33 | C5 | N4 | 118.3° | 108.8° |
| C33 | C5 | H6 | 103.6° | 109.5° |
| C33 | N8 | C31 | 114.5° | 114.8° |
| C33 | N8 | H47 | 122.7° | 122.6° |
| N4 | C5 | H6 | 104.6° | 109.6° |
| C5 | N4 | H43 | 122.1° | 121.8° |
| C1 | N1 | H4 | 120.0° | 120.0° |
| C1 | N1 | H5 | 120.0° | 120.0° |
| C7 | C8 | N5 | 111.9° | 109.7° |
| C7 | C8 | H1 | 108.0° | 109.6° |
| C8 | C7 | H2 | 107.6° | 109.4° |
| C8 | C7 | H3 | 107.7° | 109.4° |
| C8 | N5 | C12 | 123.8° | 125.3° |
| N5 | C8 | H1 | 107.5° | 109.7° |
| N8 | C31 | C30 | 109.2° | 108.5° |
| N8 | C31 | H37 | 107.8° | 109.6° |
| C31 | N8 | H47 | 122.7° | 122.5° |
| C31 | C30 | S1 | 106.2° | 109.5° |
| C31 | C30 | H35 | 110.3° | 109.4° |
| C31 | C30 | H36 | 110.3° | 109.5° |
| C30 | C31 | H37 | 106.3° | 109.6° |
| N5 | C12 | O2 | 120.8° | 120.0° |
| N5 | C12 | C13 | 108.3° | 120.0° |
| C30 | S1 | C29 | 113.4° | 103.0° |
| S1 | C30 | H35 | 110.3° | 109.4° |
| S1 | C30 | H36 | 110.3° | 109.5° |
| O2 | C12 | C13 | 119.8° | 120.0° |
| C12 | C13 | N6 | 105.8° | 109.5° |
| C12 | C13 | H17 | 110.4° | 109.4° |
| C12 | C13 | H18 | 110.4° | 109.5° |
| S1 | C29 | C28 | 104.7° | 109.5° |
| S1 | C29 | H33 | 110.7° | 109.5° |
| S1 | C29 | H34 | 110.7° | 109.4° |
| C13 | N6 | C22 | 112.6° | 110.9° |
| C13 | N6 | C14 | 109.0° | 111.0° |
| N6 | C13 | H17 | 110.4° | 109.5° |
| N6 | C13 | H18 | 110.4° | 109.5° |
| C29 | C28 | C23 | 120.9° | 120.0° |
| C29 | C28 | C27 | 119.2° | 120.0° |
| C28 | C29 | H33 | 110.6° | 109.5° |
| C28 | C29 | H34 | 110.6° | 109.5° |
| N6 | C22 | C23 | 104.2° | 109.4° |
| C22 | N6 | C14 | 110.9° | 111.0° |
| N6 | C22 | H27 | 110.8° | 109.5° |
| N6 | C22 | H28 | 110.8° | 109.5° |
| C22 | C23 | C28 | 121.2° | 120.0° |
| C22 | C23 | C24 | 119.3° | 120.1° |
| C23 | C22 | H27 | 110.8° | 109.5° |
| C23 | C22 | H28 | 110.8° | 109.5° |
| N6 | C14 | C15 | 106.3° | 109.5° |
| N6 | C14 | H19 | 110.3° | 109.5° |
| N6 | C14 | H20 | 110.3° | 109.5° |
| O3 | C21 | C20 | 113.4° | 109.5° |
| O3 | C21 | H25 | 108.5° | 109.5° |
| O3 | C21 | H26 | 108.5° | 109.5° |
| C21 | O3 | H48 | 109.5° | 114.0° |
| C23 | C28 | C27 | 119.9° | 120.0° |
| C28 | C23 | C24 | 119.5° | 120.0° |
| C28 | C27 | C26 | 120.3° | 120.0° |
| C28 | C27 | H32 | 119.8° | 120.0° |
| C23 | C24 | C25 | 120.8° | 120.1° |
| C23 | C24 | H29 | 119.6° | 119.9° |
| C14 | C15 | C16 | 117.9° | 120.0° |
| C14 | C15 | C20 | 121.7° | 120.0° |
| C15 | C14 | H19 | 110.3° | 109.5° |
| C15 | C14 | H20 | 110.2° | 109.4° |
| C16 | C15 | C20 | 120.3° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C15 | C16 | H21 | 120.1° | 120.0° |
| C15 | C20 | C21 | 123.0° | 120.0° |
| C15 | C20 | C19 | 119.2° | 119.9° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C17 | C16 | H21 | 120.1° | 120.0° |
| C16 | C17 | H22 | 119.9° | 120.0° |
| C21 | C20 | C19 | 117.7° | 120.0° |
| C20 | C21 | H25 | 108.5° | 109.5° |
| C20 | C21 | H26 | 108.5° | 109.5° |
| C20 | C19 | C18 | 120.5° | 120.0° |
| C20 | C19 | H24 | 119.7° | 120.0° |
| C27 | C26 | C25 | 120.3° | 120.0° |
| C27 | C26 | H31 | 119.9° | 120.0° |
| C26 | C27 | H32 | 119.9° | 120.0° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | H22 | 119.9° | 120.0° |
| C17 | C18 | H23 | 120.1° | 119.9° |
| C19 | C18 | H23 | 120.1° | 120.0° |
| C18 | C19 | H24 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.2° | 119.9° |
| C25 | C24 | H29 | 119.6° | 120.0° |
| C24 | C25 | H30 | 120.4° | 120.0° |
| C26 | C25 | H30 | 120.4° | 120.1° |
| C25 | C26 | H31 | 119.8° | 119.9° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | N1 | H5 | 120.0° | 120.0° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H9 | C3 | H10 | 109.5° | 109.4° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 110.3° |
| H15 | C11 | H16 | 109.5° | 109.8° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.4° | 109.4° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H38 | C9 | H39 | 109.5° | 110.0° |
| H45 | N7 | H46 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C32 | N7 | C31 | 179.1° | 179.9° |
| O4 | C32 | C31 | N8 | 24.5° | 20.1° |
| O4 | C32 | C31 | C30 | 100.4° | 99.0° |
| O4 | C32 | C31 | H37 | 143.9° | 140.5° |
| O4 | C32 | N7 | H45 | 0.0° | 179.9° |
| O4 | C32 | N7 | H46 | 180.0° | 0.0° |
| O1 | C6 | C7 | N4 | 177.9° | 180.0° |
| O1 | C6 | N4 | C5 | 0.6° | 0.1° |
| O1 | C6 | C7 | C8 | 74.9° | 20.5° |
| O1 | C6 | C7 | H2 | 46.2° | 140.4° |
| O1 | C6 | C7 | H3 | 164.1° | 99.5° |
| O1 | C6 | N4 | H43 | 179.4° | 179.9° |
| N3 | C2 | C3 | H11 | 119.7° | 120.0° |
| N3 | C2 | C3 | H12 | 119.7° | 120.0° |
| N3 | C2 | C3 | C4 | 150.2° | 180.0° |
| C2 | N3 | C1 | H42 | 180.0° | 180.0° |
| C2 | N3 | C1 | N2 | 1.5° | 0.0° |
| C2 | N3 | C1 | N1 | 177.2° | 180.0° |
| N3 | C2 | C3 | H9 | 89.9° | 60.0° |
| N3 | C2 | C3 | H10 | 30.3° | 60.0° |
| N3 | C2 | H11 | H12 | 120.9° | 120.0° |
| C2 | C3 | C4 | H9 | 119.9° | 120.0° |
| C2 | C3 | C4 | H10 | 119.9° | 120.0° |
| C2 | C3 | C4 | C5 | 164.1° | 180.0° |
| C3 | C2 | N3 | C1 | 78.4° | 180.0° |
| C2 | C3 | C4 | H7 | 46.2° | 60.0° |
| C2 | C3 | C4 | H8 | 78.0° | 60.0° |
| C2 | C3 | H9 | H10 | 120.2° | 120.0° |
| C3 | C2 | H11 | H12 | 121.0° | 120.0° |
| C3 | C2 | N3 | H42 | 101.5° | 0.0° |
| C9 | C10 | C11 | H13 | 119.0° | 119.0° |
| C9 | C10 | C11 | H14 | 119.0° | 119.1° |
| C10 | C9 | C8 | H38 | 119.6° | 119.3° |
| C10 | C9 | C8 | H39 | 119.5° | 119.3° |
| C9 | C10 | C11 | N5 | 35.1° | 14.9° |
| C10 | C9 | C8 | C7 | 118.9° | 124.7° |
| C10 | C9 | C8 | N5 | 2.8° | 5.1° |
| C10 | C9 | C8 | H1 | 120.4° | 114.6° |
| C9 | C10 | H13 | H14 | 122.8° | 121.9° |
| C9 | C10 | C11 | H15 | 83.7° | 134.5° |
| C9 | C10 | C11 | H16 | 153.9° | 104.7° |
| C10 | C9 | H38 | H39 | 121.3° | 121.6° |
| C11 | C10 | C9 | C8 | 17.9° | 5.9° |
| C10 | C11 | N5 | H15 | 118.8° | 119.6° |
| C10 | C11 | N5 | H16 | 118.8° | 119.6° |
| C10 | C11 | N5 | C8 | 37.0° | 18.7° |
| C10 | C11 | N5 | C12 | 161.5° | 161.4° |
| C11 | C10 | H13 | H14 | 122.9° | 121.9° |
| C10 | C11 | H15 | H16 | 123.4° | 120.8° |
| C11 | C10 | C9 | H38 | 137.5° | 125.2° |
| C11 | C10 | C9 | H39 | 101.6° | 113.3° |
| C3 | C4 | C5 | H7 | 117.9° | 120.0° |
| C3 | C4 | C5 | H8 | 117.9° | 120.0° |
| C3 | C4 | C5 | C33 | 156.3° | 175.6° |
| C3 | C4 | C5 | N4 | 68.0° | 65.0° |
| C3 | C4 | C5 | H6 | 44.7° | 55.3° |
| C3 | C4 | H7 | H8 | 125.8° | 120.0° |
| C4 | C3 | H9 | H10 | 120.2° | 120.0° |
| C4 | C3 | C2 | H11 | 30.5° | 60.0° |
| C4 | C3 | C2 | H12 | 90.1° | 60.0° |
| C4 | C5 | N4 | C6 | 49.1° | 143.1° |
| C4 | C5 | C33 | O5 | 43.9° | 66.1° |
| C4 | C5 | C33 | N4 | 132.6° | 119.9° |
| C4 | C5 | C33 | H6 | 112.2° | 120.3° |
| C4 | C5 | C33 | N8 | 139.1° | 113.9° |
| C4 | C5 | N4 | H6 | 112.6° | 120.3° |
| C5 | C4 | H7 | H8 | 125.9° | 120.0° |
| C5 | C4 | C3 | H9 | 75.9° | 60.0° |
| C5 | C4 | C3 | H10 | 44.2° | 60.0° |
| C4 | C5 | N4 | H43 | 130.9° | 36.9° |
| N7 | C32 | C31 | N8 | 154.6° | 160.0° |
| N7 | C32 | C31 | C30 | 80.5° | 80.9° |
| N7 | C32 | C31 | H37 | 35.2° | 39.5° |
| C32 | N7 | H45 | H46 | 180.0° | 179.9° |
| C32 | C31 | N8 | C33 | 73.1° | 77.7° |
| C32 | C31 | N8 | C30 | 126.1° | 119.8° |
| C32 | C31 | N8 | H37 | 118.8° | 120.5° |
| C32 | C31 | C30 | H37 | 116.0° | 120.6° |
| C32 | C31 | C30 | S1 | 177.1° | 119.6° |
| C32 | C31 | C30 | H35 | 57.6° | 0.3° |
| C32 | C31 | C30 | H36 | 63.4° | 120.4° |
| C31 | C32 | N7 | H45 | 179.1° | 0.0° |
| C31 | C32 | N7 | H46 | 0.9° | 179.9° |
| C32 | C31 | N8 | H47 | 106.9° | 102.2° |
| C9 | C8 | C7 | C6 | 85.5° | 143.3° |
| C9 | C8 | N5 | C11 | 27.4° | 14.8° |
| C9 | C8 | C7 | N5 | 118.4° | 118.6° |
| C9 | C8 | C7 | H1 | 123.4° | 120.9° |
| C9 | C8 | N5 | H1 | 120.9° | 119.8° |
| C9 | C8 | N5 | C12 | 170.4° | 165.2° |
| C9 | C8 | C7 | H2 | 35.5° | 23.2° |
| C9 | C8 | C7 | H3 | 153.4° | 96.8° |
| C8 | C9 | C10 | H13 | 136.9° | 124.9° |
| C8 | C9 | C10 | H14 | 101.1° | 113.2° |
| C8 | C9 | H38 | H39 | 121.4° | 121.4° |
| C7 | C6 | N4 | C5 | 178.6° | 180.0° |
| C6 | C7 | C8 | H2 | 121.0° | 120.0° |
| C6 | C7 | C8 | H3 | 121.0° | 120.0° |
| C6 | C7 | C8 | N5 | 32.9° | 98.2° |
| C6 | C7 | C8 | H1 | 151.1° | 22.4° |
| C6 | C7 | H2 | H3 | 116.8° | 120.1° |
| C7 | C6 | N4 | H43 | 1.4° | 0.1° |
| C6 | N4 | C5 | C33 | 83.7° | 97.0° |
| C6 | N4 | C5 | H43 | 180.0° | 180.0° |
| N4 | C6 | C7 | C8 | 107.2° | 159.5° |
| N4 | C6 | C7 | H2 | 131.8° | 39.6° |
| N4 | C6 | C7 | H3 | 13.8° | 80.5° |
| C6 | N4 | C5 | H6 | 161.7° | 22.8° |
| O5 | C33 | C5 | N8 | 177.0° | 180.0° |
| O5 | C33 | C5 | N4 | 176.5° | 53.8° |
| O5 | C33 | N8 | C31 | 0.5° | 0.3° |
| O5 | C33 | C5 | H6 | 68.3° | 173.6° |
| O5 | C33 | N8 | H47 | 179.5° | 179.8° |
| C11 | N5 | C8 | C7 | 93.2° | 134.5° |
| C11 | N5 | C8 | C12 | 162.1° | 180.0° |
| C11 | N5 | C12 | O2 | 27.5° | 179.5° |
| C11 | N5 | C12 | C13 | 171.3° | 0.6° |
| C11 | N5 | C8 | H1 | 148.3° | 105.0° |
| N5 | C11 | C10 | H13 | 154.1° | 133.9° |
| N5 | C11 | C10 | H14 | 83.9° | 104.1° |
| N5 | C11 | H15 | H16 | 123.4° | 120.9° |
| N3 | C1 | N2 | N1 | 175.4° | 180.0° |
| N3 | C1 | N1 | H4 | 175.6° | 179.9° |
| N3 | C1 | N1 | H5 | 4.4° | 0.0° |
| C1 | N3 | C2 | H11 | 161.9° | 60.0° |
| C1 | N3 | C2 | H12 | 41.2° | 60.0° |
| N3 | C1 | N2 | H40 | 175.4° | 179.9° |
| N2 | C1 | N1 | H4 | 0.0° | 0.1° |
| N2 | C1 | N1 | H5 | 180.0° | 180.0° |
| N2 | C1 | N3 | H42 | 178.5° | 180.0° |
| C33 | C5 | N4 | H6 | 114.6° | 119.8° |
| C5 | C33 | N8 | C31 | 177.3° | 179.7° |
| C33 | C5 | C4 | H7 | 38.4° | 64.4° |
| C33 | C5 | C4 | H8 | 85.8° | 55.6° |
| C33 | C5 | N4 | H43 | 96.3° | 83.0° |
| C5 | C33 | N8 | H47 | 2.6° | 0.2° |
| N8 | C33 | C5 | N4 | 6.5° | 126.2° |
| C33 | N8 | C31 | H47 | 180.0° | 179.9° |
| C33 | N8 | C31 | C30 | 53.0° | 162.5° |
| N8 | C33 | C5 | H6 | 108.7° | 6.4° |
| C33 | N8 | C31 | H37 | 168.1° | 42.8° |
| N4 | C5 | C4 | H7 | 174.1° | 55.0° |
| N4 | C5 | C4 | H8 | 49.9° | 175.0° |
| C1 | N1 | H4 | H5 | 180.0° | 179.9° |
| N1 | C1 | N2 | H40 | 0.0° | 0.1° |
| N1 | C1 | N3 | H42 | 2.8° | 0.0° |
| C7 | C8 | N5 | H1 | 118.4° | 120.5° |
| C7 | C8 | N5 | C12 | 68.9° | 45.6° |
| C8 | C7 | H2 | H3 | 116.8° | 119.9° |
| C7 | C8 | C9 | H38 | 121.6° | 5.4° |
| C7 | C8 | C9 | H39 | 0.6° | 116.1° |
| C8 | N5 | C12 | O2 | 173.8° | 0.6° |
| C8 | N5 | C12 | C13 | 30.0° | 179.4° |
| N5 | C8 | C7 | H2 | 153.9° | 141.8° |
| N5 | C8 | C7 | H3 | 88.1° | 21.8° |
| C8 | N5 | C11 | H15 | 81.8° | 138.2° |
| C8 | N5 | C11 | H16 | 155.8° | 100.9° |
| N5 | C8 | C9 | H38 | 116.8° | 114.2° |
| N5 | C8 | C9 | H39 | 122.3° | 124.3° |
| N8 | C31 | C30 | H37 | 116.0° | 119.7° |
| N8 | C31 | C30 | S1 | 49.1° | 120.7° |
| N8 | C31 | C30 | H35 | 70.4° | 119.4° |
| N8 | C31 | C30 | H36 | 168.6° | 0.6° |
| C31 | C30 | S1 | H35 | 119.5° | 120.0° |
| C31 | C30 | S1 | H36 | 119.5° | 120.0° |
| C31 | C30 | S1 | C29 | 52.0° | 90.2° |
| C31 | C30 | H35 | H36 | 121.5° | 120.0° |
| C30 | C31 | N8 | H47 | 127.0° | 17.6° |
| N5 | C12 | O2 | C13 | 139.8° | 179.9° |
| N5 | C12 | C13 | N6 | 169.1° | 165.9° |
| C12 | N5 | C8 | H1 | 49.5° | 75.0° |
| C12 | N5 | C11 | H15 | 79.7° | 41.8° |
| C12 | N5 | C11 | H16 | 42.7° | 79.1° |
| N5 | C12 | C13 | H17 | 71.5° | 45.9° |
| N5 | C12 | C13 | H18 | 49.7° | 74.1° |
| C30 | S1 | C29 | C28 | 179.2° | 159.6° |
| C30 | S1 | C29 | H33 | 59.9° | 80.5° |
| C30 | S1 | C29 | H34 | 61.6° | 39.6° |
| S1 | C30 | H35 | H36 | 121.5° | 120.0° |
| S1 | C30 | C31 | H37 | 66.9° | 0.9° |
| O2 | C12 | C13 | N6 | 46.6° | 14.2° |
| O2 | C12 | C13 | H17 | 72.8° | 134.2° |
| O2 | C12 | C13 | H18 | 166.1° | 105.9° |
| C12 | C13 | N6 | H17 | 119.4° | 120.0° |
| C12 | C13 | N6 | H18 | 119.4° | 120.0° |
| C12 | C13 | N6 | C22 | 57.3° | 90.5° |
| C12 | C13 | N6 | C14 | 179.1° | 145.6° |
| C12 | C13 | H17 | H18 | 121.7° | 120.0° |
| S1 | C29 | C28 | H33 | 119.2° | 120.0° |
| S1 | C29 | C28 | H34 | 119.2° | 119.9° |
| S1 | C29 | C28 | C23 | 91.5° | 176.2° |
| S1 | C29 | C28 | C27 | 87.7° | 3.9° |
| S1 | C29 | H33 | H34 | 122.2° | 120.0° |
| C29 | S1 | C30 | H35 | 171.5° | 149.8° |
| C29 | S1 | C30 | H36 | 67.5° | 29.8° |
| C13 | N6 | C22 | C14 | 122.5° | 124.0° |
| C13 | N6 | C22 | C23 | 163.8° | 166.1° |
| C13 | N6 | C14 | C15 | 64.9° | 64.1° |
| N6 | C13 | H17 | H18 | 121.7° | 120.0° |
| C13 | N6 | C14 | H19 | 54.6° | 175.9° |
| C13 | N6 | C14 | H20 | 175.6° | 55.9° |
| C13 | N6 | C22 | H27 | 77.1° | 74.0° |
| C13 | N6 | C22 | H28 | 44.6° | 46.1° |
| C29 | C28 | C23 | C22 | 1.3° | 0.1° |
| C29 | C28 | C23 | C27 | 179.1° | 180.0° |
| C29 | C28 | C23 | C24 | 179.5° | 180.0° |
| C29 | C28 | C27 | C26 | 179.8° | 180.0° |
| C29 | C28 | C27 | H32 | 0.2° | 0.1° |
| C28 | C29 | H33 | H34 | 122.2° | 120.1° |
| N6 | C22 | C23 | H27 | 119.2° | 120.0° |
| N6 | C22 | C23 | H28 | 119.2° | 119.9° |
| N6 | C22 | C23 | C28 | 91.6° | 98.4° |
| N6 | C22 | C23 | C24 | 86.6° | 81.5° |
| C22 | N6 | C14 | C15 | 170.6° | 172.0° |
| C22 | N6 | C13 | H17 | 176.8° | 149.6° |
| C22 | N6 | C13 | H18 | 62.1° | 29.6° |
| C22 | N6 | C14 | H19 | 69.9° | 52.0° |
| C22 | N6 | C14 | H20 | 51.1° | 68.1° |
| N6 | C22 | H27 | H28 | 122.5° | 120.0° |
| C23 | C22 | N6 | C14 | 73.8° | 42.1° |
| C22 | C23 | C28 | C24 | 178.2° | 179.9° |
| C22 | C23 | C28 | C27 | 179.6° | 180.0° |
| C22 | C23 | C24 | C25 | 179.5° | 180.0° |
| C23 | C22 | H27 | H28 | 122.4° | 120.0° |
| C22 | C23 | C24 | H29 | 0.5° | 0.1° |
| N6 | C14 | C15 | H19 | 119.5° | 120.0° |
| N6 | C14 | C15 | H20 | 119.5° | 120.0° |
| N6 | C14 | C15 | C16 | 126.3° | 105.9° |
| N6 | C14 | C15 | C20 | 53.6° | 74.4° |
| C14 | N6 | C13 | H17 | 59.7° | 25.6° |
| C14 | N6 | C13 | H18 | 61.5° | 94.4° |
| N6 | C14 | H19 | H20 | 121.5° | 120.0° |
| C14 | N6 | C22 | H27 | 45.4° | 162.1° |
| C14 | N6 | C22 | H28 | 167.1° | 77.8° |
| O3 | C21 | C20 | C15 | 80.7° | 175.3° |
| O3 | C21 | C20 | H25 | 120.6° | 120.0° |
| O3 | C21 | C20 | H26 | 120.6° | 120.1° |
| O3 | C21 | C20 | C19 | 101.9° | 5.0° |
| O3 | C21 | H25 | H26 | 118.2° | 120.0° |
| C23 | C28 | C27 | C26 | 0.7° | 0.0° |
| C28 | C23 | C24 | C25 | 1.3° | 0.1° |
| C28 | C23 | C22 | H27 | 149.2° | 21.6° |
| C28 | C23 | C22 | H28 | 27.6° | 141.7° |
| C28 | C23 | C24 | H29 | 178.7° | 180.0° |
| C23 | C28 | C27 | H32 | 179.4° | 180.0° |
| C23 | C28 | C29 | H33 | 149.3° | 56.2° |
| C23 | C28 | C29 | H34 | 27.8° | 63.9° |
| C27 | C28 | C23 | C24 | 1.4° | 0.0° |
| C28 | C27 | C26 | H32 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C28 | C27 | C26 | H31 | 179.8° | 180.0° |
| C27 | C28 | C29 | H33 | 31.6° | 123.8° |
| C27 | C28 | C29 | H34 | 153.1° | 116.1° |
| C23 | C24 | C25 | H29 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.4° | 0.1° |
| C24 | C23 | C22 | H27 | 32.6° | 158.5° |
| C24 | C23 | C22 | H28 | 154.3° | 38.4° |
| C23 | C24 | C25 | H30 | 179.6° | 180.0° |
| C14 | C15 | C16 | C20 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 179.6° | 180.0° |
| C14 | C15 | C20 | C21 | 1.7° | 0.0° |
| C14 | C15 | C20 | C19 | 179.0° | 179.8° |
| C15 | C14 | H19 | H20 | 121.4° | 120.0° |
| C14 | C15 | C16 | H21 | 0.4° | 0.0° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C16 | C15 | C20 | C21 | 178.4° | 179.7° |
| C16 | C15 | C20 | C19 | 1.0° | 0.5° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C14 | H19 | 6.8° | 134.1° |
| C16 | C15 | C14 | H20 | 114.2° | 14.1° |
| C15 | C16 | C17 | H22 | 179.8° | 179.9° |
| C20 | C15 | C16 | C17 | 0.5° | 0.2° |
| C15 | C20 | C21 | C19 | 177.4° | 179.8° |
| C15 | C20 | C19 | C18 | 0.9° | 0.5° |
| C20 | C15 | C14 | H19 | 173.1° | 45.6° |
| C20 | C15 | C14 | H20 | 65.9° | 165.6° |
| C20 | C15 | C16 | H21 | 179.5° | 179.7° |
| C15 | C20 | C19 | H24 | 179.1° | 179.7° |
| C15 | C20 | C21 | H25 | 39.9° | 55.2° |
| C15 | C20 | C21 | H26 | 158.7° | 64.7° |
| C16 | C17 | C18 | H22 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H23 | 179.7° | 179.9° |
| C21 | C20 | C19 | C18 | 178.4° | 179.7° |
| C21 | C20 | C19 | H24 | 1.6° | 0.0° |
| C20 | C21 | H25 | H26 | 118.2° | 120.0° |
| C20 | C21 | O3 | H48 | 44.2° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.2° |
| C20 | C19 | C18 | H24 | 180.0° | 179.8° |
| C20 | C19 | C18 | H23 | 179.8° | 179.8° |
| C19 | C20 | C21 | H25 | 137.6° | 125.0° |
| C19 | C20 | C21 | H26 | 18.7° | 115.1° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C27 | C26 | C25 | H31 | 180.0° | 180.0° |
| C27 | C26 | C25 | H30 | 179.7° | 180.0° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C18 | C17 | C16 | H21 | 179.8° | 180.0° |
| C17 | C18 | C19 | H24 | 179.8° | 180.0° |
| C19 | C18 | C17 | H22 | 179.6° | 179.9° |
| C24 | C25 | C26 | H30 | 180.0° | 180.0° |
| C24 | C25 | C26 | H31 | 179.7° | 180.0° |
| C26 | C25 | C24 | H29 | 179.6° | 180.0° |
| C25 | C26 | C27 | H32 | 179.8° | 180.0° |
| H1 | C8 | C7 | H2 | 87.9° | 97.6° |
| H1 | C8 | C7 | H3 | 30.0° | 142.4° |
| H1 | C8 | C9 | H38 | 0.8° | 126.1° |
| H1 | C8 | C9 | H39 | 120.1° | 4.7° |
| H6 | C5 | C4 | H7 | 73.3° | 175.3° |
| H6 | C5 | C4 | H8 | 162.5° | 64.7° |
| H6 | C5 | N4 | H43 | 18.3° | 157.2° |
| H7 | C4 | C3 | H9 | 166.2° | 180.0° |
| H7 | C4 | C3 | H10 | 73.7° | 60.0° |
| H8 | C4 | C3 | H9 | 42.0° | 60.0° |
| H8 | C4 | C3 | H10 | 162.1° | 180.0° |
| H9 | C3 | C2 | H11 | 150.5° | 179.9° |
| H9 | C3 | C2 | H12 | 29.8° | 60.0° |
| H10 | C3 | C2 | H11 | 89.4° | 60.0° |
| H10 | C3 | C2 | H12 | 150.0° | 180.0° |
| H11 | C2 | N3 | H42 | 18.2° | 120.0° |
| H12 | C2 | N3 | H42 | 138.8° | 120.0° |
| H13 | C10 | C11 | H15 | 35.3° | 106.5° |
| H13 | C10 | C11 | H16 | 87.1° | 14.3° |
| H13 | C10 | C9 | H38 | 103.5° | 115.8° |
| H13 | C10 | C9 | H39 | 17.4° | 5.7° |
| H14 | C10 | C11 | H15 | 157.3° | 15.5° |
| H14 | C10 | C11 | H16 | 34.9° | 136.3° |
| H14 | C10 | C9 | H38 | 18.5° | 6.1° |
| H14 | C10 | C9 | H39 | 139.4° | 127.6° |
| H21 | C16 | C17 | H22 | 0.2° | 0.1° |
| H22 | C17 | C18 | H23 | 0.3° | 0.0° |
| H23 | C18 | C19 | H24 | 0.2° | 0.1° |
| H25 | C21 | O3 | H48 | 76.4° | 60.0° |
| H26 | C21 | O3 | H48 | 164.8° | 60.0° |
| H29 | C24 | C25 | H30 | 0.4° | 0.0° |
| H30 | C25 | C26 | H31 | 0.3° | 0.0° |
| H31 | C26 | C27 | H32 | 0.2° | 0.0° |
| H35 | C30 | C31 | H37 | 173.6° | 120.9° |
| H36 | C30 | C31 | H37 | 52.6° | 119.1° |
| H37 | C31 | N8 | H47 | 11.9° | 137.3° |
