8ZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C28 | doub | 1.21Å | 1.24Å | |
| C28 | N5 | sing | 1.34Å | 1.34Å | |
| C28 | C25 | sing | 1.51Å | 1.52Å | |
| N5 | C27 | sing | 1.47Å | 1.46Å | |
| O4 | C23 | doub | 1.21Å | 1.19Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C27 | C26 | sing | 1.54Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | N4 | sing | 1.35Å | 1.48Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C22 | O5 | sing | 1.43Å | 1.43Å | |
| C21 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | C1 | sing | 1.35Å | 1.33Å | |
| O3 | C9 | doub | 1.21Å | 1.24Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | N1 | sing | 1.48Å | 1.47Å | |
| C2 | C3 | sing | 1.54Å | 1.51Å | |
| C9 | N1 | sing | 1.35Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| N2 | C15 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N1 | C8 | sing | 1.48Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C15 | O2 | doub | 1.21Å | 1.23Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C14 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C8 | C4 | sing | 1.54Å | 1.52Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| O5 | H43 | sing | 0.97Å | 0.95Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| N5 | H47 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C28 | N5 | 125.5° | 124.9° |
| O6 | C28 | C25 | 125.0° | 124.9° |
| N5 | C28 | C25 | 109.5° | 110.1° |
| C28 | N5 | C27 | 113.4° | 111.3° |
| C28 | N5 | H47 | 123.3° | 124.4° |
| C28 | C25 | C24 | 111.8° | 110.5° |
| C28 | C25 | C26 | 103.4° | 104.2° |
| C28 | C25 | H44 | 107.8° | 110.6° |
| N5 | C27 | C26 | 103.1° | 105.5° |
| N5 | C27 | H45 | 111.0° | 110.3° |
| N5 | C27 | H46 | 111.0° | 110.3° |
| C27 | N5 | H47 | 123.3° | 124.3° |
| O4 | C23 | C22 | 119.6° | 120.0° |
| O4 | C23 | N4 | 120.7° | 120.0° |
| C25 | C24 | C21 | 115.1° | 109.5° |
| C24 | C25 | C26 | 118.0° | 110.5° |
| C25 | C24 | H20 | 108.1° | 109.4° |
| C25 | C24 | H21 | 108.1° | 109.5° |
| C24 | C25 | H44 | 107.7° | 110.4° |
| C24 | C21 | C22 | 116.5° | 109.5° |
| C24 | C21 | N3 | 110.4° | 109.5° |
| C24 | C21 | H18 | 107.4° | 109.4° |
| C21 | C24 | H20 | 108.1° | 109.5° |
| C21 | C24 | H21 | 108.0° | 109.5° |
| C25 | C26 | C27 | 104.6° | 101.8° |
| C25 | C26 | H22 | 110.7° | 110.9° |
| C25 | C26 | H23 | 110.7° | 111.0° |
| C26 | C25 | H44 | 107.8° | 110.5° |
| C27 | C26 | H22 | 110.7° | 110.9° |
| C27 | C26 | H23 | 110.7° | 111.0° |
| C26 | C27 | H45 | 111.0° | 110.3° |
| C26 | C27 | H46 | 111.0° | 110.2° |
| C22 | C23 | N4 | 119.7° | 120.0° |
| C23 | C22 | C21 | 110.5° | 109.5° |
| C23 | C22 | O5 | 108.5° | 109.5° |
| C23 | C22 | H19 | 109.0° | 109.5° |
| C23 | N4 | H41 | 120.0° | 120.0° |
| C23 | N4 | H42 | 120.0° | 120.0° |
| C21 | C22 | O5 | 110.3° | 109.4° |
| C22 | C21 | N3 | 106.8° | 109.5° |
| C22 | C21 | H18 | 107.1° | 109.5° |
| C21 | C22 | H19 | 108.4° | 109.5° |
| O5 | C22 | H19 | 110.1° | 109.5° |
| C22 | O5 | H43 | 109.5° | 114.0° |
| C21 | N3 | C1 | 122.5° | 120.0° |
| C21 | N3 | H1 | 118.8° | 120.0° |
| N3 | C21 | H18 | 108.2° | 109.5° |
| N3 | C1 | C2 | 116.6° | 120.0° |
| N3 | C1 | O1 | 123.2° | 120.0° |
| C1 | N3 | H1 | 118.7° | 120.0° |
| O3 | C9 | N1 | 121.7° | 120.0° |
| O3 | C9 | C10 | 120.8° | 120.0° |
| C12 | C11 | C10 | 112.8° | 109.5° |
| C12 | C11 | C13 | 107.9° | 109.5° |
| C12 | C11 | C14 | 108.2° | 109.5° |
| C11 | C12 | H26 | 109.5° | 109.5° |
| C11 | C12 | H27 | 109.5° | 109.5° |
| C11 | C12 | H28 | 109.5° | 109.5° |
| C2 | C1 | O1 | 119.9° | 120.0° |
| C1 | C2 | N1 | 107.4° | 110.4° |
| C1 | C2 | C3 | 110.3° | 110.4° |
| C1 | C2 | H24 | 111.0° | 110.3° |
| N1 | C2 | C3 | 105.1° | 104.6° |
| C2 | N1 | C9 | 120.0° | 127.8° |
| C2 | N1 | C8 | 113.6° | 104.3° |
| N1 | C2 | H24 | 111.8° | 110.4° |
| C2 | C3 | C5 | 119.1° | 118.1° |
| C2 | C3 | C4 | 107.5° | 104.9° |
| C3 | C2 | H24 | 111.1° | 110.5° |
| C2 | C3 | H25 | 118.5° | 117.6° |
| N1 | C9 | C10 | 117.6° | 120.0° |
| C9 | N1 | C8 | 126.3° | 127.9° |
| C9 | C10 | N2 | 107.9° | 109.5° |
| C9 | C10 | C11 | 114.9° | 109.5° |
| C9 | C10 | H11 | 107.0° | 109.5° |
| C20 | C17 | C19 | 108.5° | 109.5° |
| C20 | C17 | C16 | 108.2° | 109.4° |
| C20 | C17 | C18 | 108.8° | 109.4° |
| C17 | C20 | H15 | 109.5° | 109.5° |
| C17 | C20 | H16 | 109.5° | 109.4° |
| C17 | C20 | H17 | 109.5° | 109.5° |
| C19 | C17 | C16 | 112.2° | 109.5° |
| C19 | C17 | C18 | 108.8° | 109.5° |
| C17 | C19 | H38 | 109.5° | 109.5° |
| C17 | C19 | H39 | 109.5° | 109.5° |
| C17 | C19 | H40 | 109.5° | 109.5° |
| C17 | C16 | C15 | 116.0° | 109.4° |
| C16 | C17 | C18 | 110.3° | 109.5° |
| C17 | C16 | H33 | 107.8° | 109.5° |
| C17 | C16 | H34 | 107.8° | 109.5° |
| C16 | C15 | N2 | 116.6° | 120.0° |
| C16 | C15 | O2 | 121.9° | 120.0° |
| C15 | C16 | H33 | 107.8° | 109.5° |
| C15 | C16 | H34 | 107.8° | 109.5° |
| C10 | N2 | C15 | 122.3° | 120.0° |
| N2 | C10 | C11 | 112.0° | 109.4° |
| N2 | C10 | H11 | 107.9° | 109.4° |
| C10 | N2 | H32 | 118.9° | 119.9° |
| N2 | C15 | O2 | 121.5° | 120.0° |
| C15 | N2 | H32 | 118.8° | 120.1° |
| C6 | C5 | C3 | 119.6° | 117.4° |
| C6 | C5 | C7 | 112.5° | 115.5° |
| C6 | C5 | C4 | 120.5° | 117.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| N1 | C8 | C4 | 103.7° | 104.6° |
| N1 | C8 | H9 | 110.9° | 110.4° |
| N1 | C8 | H10 | 110.9° | 110.4° |
| C17 | C18 | H35 | 109.5° | 109.5° |
| C17 | C18 | H36 | 109.5° | 109.4° |
| C17 | C18 | H37 | 109.4° | 109.5° |
| C5 | C3 | C4 | 60.0° | 59.7° |
| C3 | C5 | C7 | 116.9° | 117.4° |
| C3 | C5 | C4 | 60.1° | 60.6° |
| C5 | C3 | H25 | 118.5° | 119.5° |
| C3 | C4 | C5 | 59.8° | 59.7° |
| C3 | C4 | C8 | 108.7° | 104.9° |
| C3 | C4 | H2 | 117.2° | 121.9° |
| C4 | C3 | H25 | 118.4° | 123.1° |
| C10 | C11 | C13 | 109.6° | 109.4° |
| C10 | C11 | C14 | 108.9° | 109.5° |
| C11 | C10 | H11 | 106.8° | 109.5° |
| C13 | C11 | C14 | 109.4° | 109.5° |
| C11 | C13 | H12 | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.4° | 109.5° |
| C11 | C13 | H14 | 109.4° | 109.5° |
| C11 | C14 | H29 | 109.5° | 109.5° |
| C11 | C14 | H30 | 109.5° | 109.4° |
| C11 | C14 | H31 | 109.5° | 109.5° |
| C7 | C5 | C4 | 117.9° | 117.4° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.5° | 109.4° |
| C5 | C7 | H8 | 109.5° | 109.5° |
| C5 | C4 | C8 | 122.2° | 118.1° |
| C5 | C4 | H2 | 117.3° | 119.5° |
| C8 | C4 | H2 | 117.2° | 118.2° |
| C4 | C8 | H9 | 110.9° | 110.4° |
| C4 | C8 | H10 | 110.9° | 110.4° |
| H3 | C6 | H4 | 109.4° | 109.4° |
| H3 | C6 | H5 | 109.5° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 110.4° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H12 | C13 | H14 | 109.4° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H17 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.4° | 109.4° |
| H22 | C26 | H23 | 109.5° | 110.9° |
| H26 | C12 | H27 | 109.5° | 109.5° |
| H26 | C12 | H28 | 109.4° | 109.4° |
| H27 | C12 | H28 | 109.5° | 109.4° |
| H29 | C14 | H30 | 109.4° | 109.5° |
| H29 | C14 | H31 | 109.5° | 109.5° |
| H30 | C14 | H31 | 109.5° | 109.5° |
| H33 | C16 | H34 | 109.5° | 109.5° |
| H35 | C18 | H36 | 109.5° | 109.4° |
| H35 | C18 | H37 | 109.4° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.5° |
| H38 | C19 | H39 | 109.5° | 109.5° |
| H38 | C19 | H40 | 109.5° | 109.4° |
| H39 | C19 | H40 | 109.5° | 109.5° |
| H41 | N4 | H42 | 120.0° | 120.0° |
| H45 | C27 | H46 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C28 | N5 | C25 | 179.2° | 180.0° |
| O6 | C28 | N5 | C27 | 177.0° | 179.6° |
| O6 | C28 | C25 | C24 | 39.5° | 77.5° |
| O6 | C28 | C25 | C26 | 167.4° | 163.8° |
| O6 | C28 | C25 | H44 | 78.6° | 45.1° |
| O6 | C28 | N5 | H47 | 3.0° | 0.4° |
| C28 | N5 | C27 | H47 | 180.0° | 179.9° |
| N5 | C28 | C25 | C24 | 141.4° | 102.5° |
| N5 | C28 | C25 | C26 | 13.4° | 16.3° |
| C28 | N5 | C27 | C26 | 16.4° | 17.0° |
| N5 | C28 | C25 | H44 | 100.5° | 135.0° |
| C28 | N5 | C27 | H45 | 102.5° | 102.0° |
| C28 | N5 | C27 | H46 | 135.4° | 136.1° |
| C25 | C28 | N5 | C27 | 2.1° | 0.4° |
| C28 | C25 | C24 | C26 | 119.7° | 114.8° |
| C28 | C25 | C24 | H44 | 118.2° | 122.7° |
| C28 | C25 | C24 | C21 | 165.5° | 66.5° |
| C28 | C25 | C26 | H44 | 113.9° | 118.8° |
| C28 | C25 | C26 | C27 | 22.4° | 24.8° |
| C28 | C25 | C24 | H20 | 73.7° | 53.6° |
| C28 | C25 | C24 | H21 | 44.6° | 173.5° |
| C28 | C25 | C26 | H22 | 96.8° | 142.9° |
| C28 | C25 | C26 | H23 | 141.6° | 93.4° |
| C25 | C28 | N5 | H47 | 177.9° | 179.7° |
| N5 | C27 | C26 | C25 | 23.6° | 25.5° |
| N5 | C27 | C26 | H45 | 119.0° | 119.1° |
| N5 | C27 | C26 | H46 | 119.0° | 119.1° |
| N5 | C27 | C26 | H22 | 95.6° | 143.5° |
| N5 | C27 | C26 | H23 | 142.8° | 92.7° |
| N5 | C27 | H45 | H46 | 122.9° | 122.0° |
| O4 | C23 | C22 | N4 | 179.2° | 179.9° |
| O4 | C23 | C22 | C21 | 63.5° | 114.9° |
| O4 | C23 | C22 | O5 | 175.4° | 5.0° |
| O4 | C23 | C22 | H19 | 55.5° | 125.0° |
| O4 | C23 | N4 | H41 | 0.0° | 180.0° |
| O4 | C23 | N4 | H42 | 180.0° | 0.1° |
| C25 | C24 | C21 | H20 | 120.8° | 120.0° |
| C25 | C24 | C21 | H21 | 120.8° | 120.0° |
| C24 | C25 | C26 | H44 | 122.1° | 122.5° |
| C24 | C25 | C26 | C27 | 146.4° | 93.9° |
| C25 | C24 | C21 | C22 | 173.2° | 175.0° |
| C25 | C24 | C21 | N3 | 64.8° | 65.0° |
| C25 | C24 | C21 | H18 | 53.1° | 55.0° |
| C25 | C24 | H20 | H21 | 117.5° | 119.9° |
| C24 | C25 | C26 | H22 | 27.1° | 24.2° |
| C24 | C25 | C26 | H23 | 94.4° | 148.0° |
| C21 | C24 | C25 | C26 | 74.8° | 178.8° |
| C24 | C21 | C22 | C23 | 65.9° | 180.0° |
| C24 | C21 | C22 | N3 | 123.9° | 120.0° |
| C24 | C21 | C22 | H18 | 120.3° | 120.0° |
| C24 | C21 | C22 | O5 | 174.1° | 60.0° |
| C24 | C21 | N3 | H18 | 117.4° | 120.0° |
| C24 | C21 | N3 | C1 | 124.8° | 155.0° |
| C24 | C21 | N3 | H1 | 55.2° | 25.0° |
| C24 | C21 | C22 | H19 | 53.4° | 60.0° |
| C21 | C24 | H20 | H21 | 117.4° | 120.0° |
| C21 | C24 | C25 | H44 | 47.3° | 56.2° |
| C25 | C26 | C27 | H22 | 119.2° | 118.1° |
| C25 | C26 | C27 | H23 | 119.2° | 118.2° |
| C26 | C25 | C24 | H20 | 46.0° | 61.2° |
| C26 | C25 | C24 | H21 | 164.3° | 58.7° |
| C25 | C26 | H22 | H23 | 122.2° | 123.8° |
| C25 | C26 | C27 | H45 | 95.4° | 93.6° |
| C25 | C26 | C27 | H46 | 142.6° | 144.5° |
| C27 | C26 | H22 | H23 | 122.2° | 123.8° |
| C27 | C26 | C25 | H44 | 91.5° | 143.6° |
| C26 | C27 | H45 | H46 | 122.9° | 121.9° |
| C26 | C27 | N5 | H47 | 163.6° | 163.0° |
| C23 | C22 | C21 | O5 | 120.0° | 120.0° |
| C23 | C22 | C21 | H19 | 119.4° | 120.0° |
| C23 | C22 | O5 | H19 | 119.2° | 120.0° |
| C23 | C22 | C21 | N3 | 170.2° | 60.0° |
| C23 | C22 | C21 | H18 | 54.4° | 60.0° |
| C22 | C23 | N4 | H41 | 179.2° | 0.1° |
| C22 | C23 | N4 | H42 | 0.8° | 180.0° |
| C23 | C22 | O5 | H43 | 180.0° | 60.0° |
| N4 | C23 | C22 | C21 | 115.6° | 65.0° |
| N4 | C23 | C22 | O5 | 5.4° | 175.0° |
| N4 | C23 | C22 | H19 | 125.3° | 55.0° |
| C23 | N4 | H41 | H42 | 180.0° | 179.9° |
| C21 | C22 | O5 | H19 | 119.6° | 120.0° |
| C22 | C21 | N3 | H18 | 115.1° | 120.0° |
| C22 | C21 | N3 | C1 | 107.6° | 85.0° |
| C22 | C21 | N3 | H1 | 72.4° | 95.0° |
| C22 | C21 | C24 | H20 | 52.4° | 65.0° |
| C22 | C21 | C24 | H21 | 66.0° | 55.0° |
| C21 | C22 | O5 | H43 | 58.8° | 60.0° |
| O5 | C22 | C21 | N3 | 50.2° | 60.0° |
| O5 | C22 | C21 | H18 | 65.6° | 180.0° |
| C21 | N3 | C1 | H1 | 180.0° | 180.0° |
| C21 | N3 | C1 | C2 | 177.8° | 180.0° |
| C21 | N3 | C1 | O1 | 8.4° | 0.0° |
| N3 | C21 | C22 | H19 | 70.5° | 180.0° |
| N3 | C21 | C24 | H20 | 174.4° | 55.0° |
| N3 | C21 | C24 | H21 | 56.0° | 175.0° |
| N3 | C1 | C2 | O1 | 174.0° | 180.0° |
| N3 | C1 | C2 | N1 | 132.2° | 161.4° |
| N3 | C1 | C2 | C3 | 113.8° | 83.3° |
| C1 | N3 | C21 | H18 | 7.5° | 35.0° |
| N3 | C1 | C2 | H24 | 9.8° | 39.1° |
| O3 | C9 | N1 | C2 | 5.6° | 4.2° |
| O3 | C9 | N1 | C10 | 179.7° | 179.9° |
| O3 | C9 | C10 | N2 | 66.3° | 26.8° |
| O3 | C9 | N1 | C8 | 178.7° | 176.2° |
| O3 | C9 | C10 | C11 | 59.4° | 93.2° |
| O3 | C9 | C10 | H11 | 177.8° | 146.8° |
| C12 | C11 | C10 | C9 | 69.2° | 178.3° |
| C12 | C11 | C10 | N2 | 54.3° | 58.3° |
| C12 | C11 | C10 | C13 | 120.2° | 120.0° |
| C12 | C11 | C10 | C14 | 120.2° | 120.0° |
| C12 | C11 | C13 | C14 | 117.6° | 120.0° |
| C12 | C11 | C10 | H11 | 172.3° | 61.7° |
| C12 | C11 | C13 | H12 | 180.0° | 57.9° |
| C12 | C11 | C13 | H13 | 60.0° | 62.1° |
| C12 | C11 | C13 | H14 | 60.0° | 177.9° |
| C11 | C12 | H26 | H27 | 120.0° | 120.1° |
| C11 | C12 | H26 | H28 | 120.0° | 119.9° |
| C11 | C12 | H27 | H28 | 120.0° | 120.0° |
| C12 | C11 | C14 | H29 | 180.0° | 180.0° |
| C12 | C11 | C14 | H30 | 60.0° | 60.0° |
| C12 | C11 | C14 | H31 | 60.0° | 60.0° |
| C1 | C2 | N1 | C3 | 117.5° | 118.8° |
| C1 | C2 | N1 | H24 | 122.0° | 122.3° |
| C1 | C2 | C3 | H24 | 123.5° | 122.3° |
| C1 | C2 | N1 | C9 | 69.5° | 100.5° |
| C1 | C2 | N1 | C8 | 106.7° | 79.2° |
| C1 | C2 | C3 | C5 | 176.0° | 158.2° |
| C1 | C2 | C3 | C4 | 111.1° | 94.9° |
| C2 | C1 | N3 | H1 | 2.2° | 0.0° |
| C1 | C2 | C3 | H25 | 26.5° | 46.1° |
| O1 | C1 | C2 | N1 | 41.8° | 18.5° |
| O1 | C1 | C2 | C3 | 72.2° | 96.7° |
| O1 | C1 | N3 | H1 | 171.6° | 180.0° |
| O1 | C1 | C2 | H24 | 164.3° | 140.9° |
| N1 | C2 | C3 | H24 | 121.0° | 118.8° |
| C2 | N1 | C9 | C8 | 175.7° | 179.6° |
| C2 | N1 | C9 | C10 | 174.1° | 175.9° |
| N1 | C2 | C3 | C5 | 60.5° | 39.4° |
| N1 | C2 | C3 | C4 | 4.4° | 23.9° |
| C2 | N1 | C8 | C4 | 12.4° | 39.6° |
| C2 | N1 | C8 | H9 | 131.5° | 158.4° |
| C2 | N1 | C8 | H10 | 106.7° | 79.2° |
| N1 | C2 | C3 | H25 | 142.0° | 164.9° |
| C3 | C2 | N1 | C9 | 173.0° | 140.7° |
| C2 | C3 | C5 | C6 | 15.9° | 16.2° |
| C3 | C2 | N1 | C8 | 10.8° | 39.6° |
| C2 | C3 | C5 | C4 | 94.4° | 91.5° |
| C2 | C3 | C5 | H25 | 157.5° | 155.2° |
| C2 | C3 | C4 | H25 | 137.7° | 138.3° |
| C2 | C3 | C5 | C7 | 157.3° | 160.9° |
| C2 | C3 | C4 | C8 | 2.9° | 0.1° |
| C2 | C3 | C4 | H2 | 138.7° | 137.8° |
| N1 | C9 | C10 | N2 | 114.0° | 153.1° |
| N1 | C9 | C10 | C11 | 120.3° | 87.0° |
| C9 | N1 | C8 | C4 | 171.7° | 140.7° |
| C9 | N1 | C8 | H9 | 52.6° | 21.9° |
| C9 | N1 | C8 | H10 | 69.3° | 100.5° |
| N1 | C9 | C10 | H11 | 1.9° | 33.1° |
| C9 | N1 | C2 | H24 | 52.5° | 21.8° |
| C9 | C10 | N2 | C11 | 127.4° | 120.0° |
| C9 | C10 | N2 | H11 | 115.3° | 120.1° |
| C9 | C10 | N2 | C15 | 104.9° | 155.1° |
| C10 | C9 | N1 | C8 | 1.6° | 3.7° |
| C9 | C10 | C11 | H11 | 118.5° | 120.1° |
| C9 | C10 | C11 | C13 | 51.0° | 61.7° |
| C9 | C10 | C11 | C14 | 170.6° | 58.3° |
| C9 | C10 | N2 | H32 | 75.1° | 25.0° |
| C20 | C17 | C19 | C16 | 119.5° | 120.0° |
| C20 | C17 | C19 | C18 | 118.2° | 120.0° |
| C20 | C17 | C16 | C18 | 118.9° | 120.0° |
| C20 | C17 | C16 | C15 | 170.2° | 180.0° |
| C17 | C20 | H15 | H16 | 120.0° | 119.9° |
| C17 | C20 | H15 | H17 | 120.0° | 120.0° |
| C17 | C20 | H16 | H17 | 120.0° | 120.0° |
| C20 | C17 | C16 | H33 | 68.8° | 60.0° |
| C20 | C17 | C16 | H34 | 49.3° | 60.0° |
| C20 | C17 | C18 | H35 | 180.0° | 60.0° |
| C20 | C17 | C18 | H36 | 60.0° | 180.0° |
| C20 | C17 | C18 | H37 | 60.0° | 60.0° |
| C20 | C17 | C19 | H38 | 180.0° | 60.0° |
| C20 | C17 | C19 | H39 | 60.0° | 60.0° |
| C20 | C17 | C19 | H40 | 60.0° | 180.0° |
| C19 | C17 | C16 | C18 | 121.4° | 120.1° |
| C19 | C17 | C16 | C15 | 70.1° | 60.0° |
| C19 | C17 | C20 | H15 | 180.0° | 180.0° |
| C19 | C17 | C20 | H16 | 60.0° | 60.0° |
| C19 | C17 | C20 | H17 | 60.0° | 60.0° |
| C19 | C17 | C16 | H33 | 50.9° | 180.0° |
| C19 | C17 | C16 | H34 | 169.0° | 59.9° |
| C19 | C17 | C18 | H35 | 61.9° | 60.0° |
| C19 | C17 | C18 | H36 | 178.0° | 60.0° |
| C19 | C17 | C18 | H37 | 58.0° | 180.0° |
| C17 | C19 | H38 | H39 | 120.0° | 120.0° |
| C17 | C19 | H38 | H40 | 120.0° | 120.0° |
| C17 | C19 | H39 | H40 | 120.0° | 120.0° |
| C17 | C16 | C15 | H33 | 121.0° | 120.0° |
| C17 | C16 | C15 | H34 | 121.0° | 120.0° |
| C17 | C16 | C15 | N2 | 89.8° | 180.0° |
| C17 | C16 | C15 | O2 | 89.8° | 0.0° |
| C16 | C17 | C20 | H15 | 58.0° | 60.0° |
| C16 | C17 | C20 | H16 | 62.0° | 60.0° |
| C16 | C17 | C20 | H17 | 178.0° | 180.0° |
| C17 | C16 | H33 | H34 | 117.1° | 120.0° |
| C16 | C17 | C18 | H35 | 61.5° | 180.0° |
| C16 | C17 | C18 | H36 | 58.5° | 60.1° |
| C16 | C17 | C18 | H37 | 178.6° | 60.0° |
| C16 | C17 | C19 | H38 | 60.5° | 180.0° |
| C16 | C17 | C19 | H39 | 179.5° | 60.0° |
| C16 | C17 | C19 | H40 | 59.5° | 60.0° |
| C16 | C15 | N2 | C10 | 179.1° | 180.0° |
| C16 | C15 | N2 | O2 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 51.3° | 60.0° |
| C16 | C15 | N2 | H32 | 0.8° | 0.1° |
| C15 | C16 | H33 | H34 | 117.0° | 120.0° |
| C10 | N2 | C15 | H32 | 180.0° | 179.9° |
| N2 | C10 | C11 | H11 | 118.0° | 119.9° |
| C10 | N2 | C15 | O2 | 0.5° | 0.0° |
| N2 | C10 | C11 | C13 | 174.6° | 178.3° |
| N2 | C10 | C11 | C14 | 65.8° | 61.7° |
| C15 | N2 | C10 | C11 | 127.7° | 85.0° |
| C15 | N2 | C10 | H11 | 10.4° | 35.0° |
| N2 | C15 | C16 | H33 | 31.1° | 60.0° |
| N2 | C15 | C16 | H34 | 149.2° | 60.1° |
| C6 | C5 | C3 | C7 | 141.5° | 144.7° |
| C6 | C5 | C3 | C4 | 110.3° | 107.7° |
| C6 | C5 | C7 | C4 | 147.2° | 145.4° |
| C6 | C5 | C4 | C8 | 14.6° | 16.1° |
| C6 | C5 | C4 | H2 | 144.0° | 140.6° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C6 | C5 | C7 | H6 | 180.0° | 154.0° |
| C6 | C5 | C7 | H7 | 60.0° | 86.0° |
| C6 | C5 | C7 | H8 | 60.0° | 34.0° |
| C6 | C5 | C3 | H25 | 141.6° | 139.0° |
| N1 | C8 | C4 | C3 | 8.9° | 23.8° |
| N1 | C8 | C4 | C5 | 56.6° | 39.5° |
| N1 | C8 | C4 | H9 | 119.1° | 118.8° |
| N1 | C8 | C4 | H10 | 119.1° | 118.8° |
| N1 | C8 | C4 | H2 | 144.7° | 163.6° |
| N1 | C8 | H9 | H10 | 122.7° | 122.5° |
| C8 | N1 | C2 | H24 | 131.3° | 158.5° |
| C18 | C17 | C20 | H15 | 61.8° | 60.0° |
| C18 | C17 | C20 | H16 | 178.2° | 180.0° |
| C18 | C17 | C20 | H17 | 58.2° | 60.0° |
| C18 | C17 | C16 | H33 | 172.3° | 59.9° |
| C18 | C17 | C16 | H34 | 69.6° | 180.0° |
| C17 | C18 | H35 | H36 | 120.0° | 120.0° |
| C17 | C18 | H35 | H37 | 120.0° | 120.0° |
| C17 | C18 | H36 | H37 | 120.0° | 120.0° |
| C18 | C17 | C19 | H38 | 61.8° | 60.0° |
| C18 | C17 | C19 | H39 | 58.2° | 180.0° |
| C18 | C17 | C19 | H40 | 178.2° | 60.0° |
| C5 | C3 | C4 | H25 | 108.3° | 107.5° |
| C3 | C5 | C7 | C4 | 68.7° | 69.2° |
| C3 | C5 | C4 | C8 | 94.2° | 91.5° |
| C5 | C3 | C4 | H2 | 107.3° | 108.0° |
| C3 | C5 | C6 | H3 | 180.0° | 59.7° |
| C3 | C5 | C6 | H4 | 60.0° | 60.3° |
| C3 | C5 | C6 | H5 | 60.0° | 179.8° |
| C3 | C5 | C7 | H6 | 35.9° | 60.6° |
| C3 | C5 | C7 | H7 | 84.1° | 59.4° |
| C3 | C5 | C7 | H8 | 156.0° | 179.3° |
| C5 | C3 | C2 | H24 | 60.5° | 79.4° |
| C3 | C4 | C8 | H2 | 135.8° | 139.7° |
| C3 | C4 | C8 | H9 | 128.0° | 142.6° |
| C3 | C4 | C8 | H10 | 110.2° | 95.0° |
| C4 | C3 | C2 | H24 | 125.4° | 142.8° |
| C10 | C11 | C13 | C14 | 119.3° | 120.0° |
| C10 | C11 | C13 | H12 | 56.8° | 62.2° |
| C10 | C11 | C13 | H13 | 176.9° | 177.8° |
| C10 | C11 | C13 | H14 | 63.2° | 57.9° |
| C10 | C11 | C12 | H26 | 180.0° | 59.9° |
| C10 | C11 | C12 | H27 | 60.0° | 180.0° |
| C10 | C11 | C12 | H28 | 60.0° | 60.0° |
| C10 | C11 | C14 | H29 | 57.1° | 60.0° |
| C10 | C11 | C14 | H30 | 62.9° | 180.0° |
| C10 | C11 | C14 | H31 | 177.1° | 60.1° |
| C11 | C10 | N2 | H32 | 52.3° | 95.0° |
| O2 | C15 | N2 | H32 | 179.5° | 180.0° |
| O2 | C15 | C16 | H33 | 149.2° | 120.0° |
| O2 | C15 | C16 | H34 | 31.1° | 120.0° |
| C13 | C11 | C10 | H11 | 67.5° | 58.4° |
| C11 | C13 | H12 | H13 | 120.0° | 120.0° |
| C11 | C13 | H12 | H14 | 120.0° | 120.1° |
| C11 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C11 | C12 | H26 | 58.8° | 179.9° |
| C13 | C11 | C12 | H27 | 178.8° | 60.0° |
| C13 | C11 | C12 | H28 | 61.2° | 60.0° |
| C13 | C11 | C14 | H29 | 62.6° | 60.0° |
| C13 | C11 | C14 | H30 | 177.4° | 60.0° |
| C13 | C11 | C14 | H31 | 57.4° | 180.0° |
| C14 | C11 | C10 | H11 | 52.1° | 178.3° |
| C14 | C11 | C13 | H12 | 62.5° | 177.9° |
| C14 | C11 | C13 | H13 | 57.6° | 57.9° |
| C14 | C11 | C13 | H14 | 177.6° | 62.1° |
| C14 | C11 | C12 | H26 | 59.5° | 60.1° |
| C14 | C11 | C12 | H27 | 60.5° | 60.1° |
| C14 | C11 | C12 | H28 | 179.5° | 180.0° |
| C11 | C14 | H29 | H30 | 120.0° | 119.9° |
| C11 | C14 | H29 | H31 | 120.0° | 120.0° |
| C11 | C14 | H30 | H31 | 120.0° | 120.0° |
| C7 | C5 | C4 | C8 | 159.1° | 160.8° |
| C7 | C5 | C4 | H2 | 0.5° | 4.2° |
| C7 | C5 | C6 | H3 | 36.9° | 85.6° |
| C7 | C5 | C6 | H4 | 83.0° | 154.4° |
| C7 | C5 | C6 | H5 | 156.9° | 34.4° |
| C5 | C7 | H6 | H7 | 120.0° | 120.0° |
| C5 | C7 | H6 | H8 | 120.0° | 120.0° |
| C5 | C7 | H7 | H8 | 120.0° | 120.0° |
| C7 | C5 | C3 | H25 | 0.1° | 5.7° |
| C5 | C4 | C8 | H2 | 158.7° | 157.0° |
| C4 | C5 | C6 | H3 | 109.3° | 129.0° |
| C4 | C5 | C6 | H4 | 130.7° | 9.0° |
| C4 | C5 | C6 | H5 | 10.7° | 111.0° |
| C4 | C5 | C7 | H6 | 32.8° | 8.6° |
| C4 | C5 | C7 | H7 | 152.8° | 128.6° |
| C4 | C5 | C7 | H8 | 87.2° | 111.4° |
| C5 | C4 | C8 | H9 | 62.4° | 79.3° |
| C5 | C4 | C8 | H10 | 175.7° | 158.3° |
| C4 | C8 | H9 | H10 | 122.7° | 122.3° |
| C8 | C4 | C3 | H25 | 134.8° | 138.4° |
| H1 | N3 | C21 | H18 | 172.5° | 145.0° |
| H2 | C4 | C8 | H9 | 96.3° | 77.6° |
| H2 | C4 | C8 | H10 | 25.6° | 44.8° |
| H2 | C4 | C3 | H25 | 1.0° | 0.5° |
| H3 | C6 | H4 | H5 | 120.0° | 119.9° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H11 | C10 | N2 | H32 | 169.6° | 145.1° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H15 | C20 | H16 | H17 | 120.0° | 120.0° |
| H18 | C21 | C22 | H19 | 173.7° | 60.0° |
| H18 | C21 | C24 | H20 | 67.8° | 175.0° |
| H18 | C21 | C24 | H21 | 173.9° | 65.0° |
| H19 | C22 | O5 | H43 | 60.8° | 180.0° |
| H20 | C24 | C25 | H44 | 168.1° | 176.2° |
| H21 | C24 | C25 | H44 | 73.5° | 63.8° |
| H22 | C26 | C25 | H44 | 149.2° | 98.3° |
| H22 | C26 | C27 | H45 | 145.4° | 24.5° |
| H22 | C26 | C27 | H46 | 23.3° | 97.4° |
| H23 | C26 | C25 | H44 | 27.7° | 25.4° |
| H23 | C26 | C27 | H45 | 23.9° | 148.2° |
| H23 | C26 | C27 | H46 | 98.2° | 26.4° |
| H24 | C2 | C3 | H25 | 97.0° | 76.2° |
| H26 | C12 | H27 | H28 | 120.0° | 119.9° |
| H29 | C14 | H30 | H31 | 120.0° | 120.1° |
| H35 | C18 | H36 | H37 | 120.0° | 120.0° |
| H38 | C19 | H39 | H40 | 120.0° | 120.0° |
| H45 | C27 | N5 | H47 | 77.5° | 77.9° |
| H46 | C27 | N5 | H47 | 44.6° | 44.0° |
