M0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C16 | sing | 1.40Å | 1.32Å | |
| C16 | F1 | sing | 1.40Å | 1.32Å | |
| C16 | F2 | sing | 1.40Å | 1.32Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C13 | C11 | sing | 1.53Å | 1.54Å | |
| C15 | O2 | doub | 1.21Å | 1.22Å | |
| C15 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N2 | C10 | sing | 1.47Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C14 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | O3 | doub | 1.21Å | 1.21Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| N5 | C26 | sing | 1.47Å | 1.46Å | |
| N5 | C27 | sing | 1.34Å | 1.36Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| C27 | O6 | doub | 1.21Å | 1.22Å | |
| C27 | C24 | sing | 1.51Å | 1.51Å | |
| N1 | C8 | sing | 1.48Å | 1.47Å | |
| N1 | C2 | sing | 1.48Å | 1.46Å | |
| C8 | C4 | sing | 1.54Å | 1.51Å | |
| C25 | C24 | sing | 1.55Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N3 | sing | 1.35Å | 1.34Å | |
| C5 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C23 | C17 | sing | 1.53Å | 1.53Å | |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | O4 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| O5 | C19 | doub | 1.21Å | 1.22Å | |
| C19 | N4 | sing | 1.35Å | 1.44Å | |
| N4 | C22 | sing | 1.48Å | 1.48Å | |
| N4 | C20 | sing | 1.48Å | 1.47Å | |
| C22 | C21 | sing | 1.54Å | 1.54Å | |
| C20 | C21 | sing | 1.54Å | 1.53Å | |
| 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 | |
| C17 | 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 | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| N5 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C16 | F1 | 105.8° | 109.5° |
| F3 | C16 | F2 | 108.0° | 109.4° |
| F3 | C16 | C15 | 112.7° | 109.5° |
| F1 | C16 | F2 | 106.8° | 109.5° |
| F1 | C16 | C15 | 111.8° | 109.5° |
| F2 | C16 | C15 | 111.4° | 109.5° |
| C16 | C15 | O2 | 120.5° | 120.0° |
| C16 | C15 | N2 | 115.1° | 120.0° |
| C13 | C11 | C12 | 108.2° | 109.5° |
| C13 | C11 | C10 | 108.8° | 109.4° |
| C13 | C11 | C14 | 109.4° | 109.4° |
| C11 | C13 | H12 | 109.5° | 109.4° |
| C11 | C13 | H13 | 109.4° | 109.4° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| O2 | C15 | N2 | 124.4° | 120.0° |
| C15 | N2 | C10 | 121.5° | 120.0° |
| C15 | N2 | H33 | 119.2° | 120.0° |
| C12 | C11 | C10 | 113.6° | 109.5° |
| C12 | C11 | C14 | 108.4° | 109.5° |
| C11 | C12 | H27 | 109.5° | 109.5° |
| C11 | C12 | H28 | 109.5° | 109.5° |
| C11 | C12 | H29 | 109.5° | 109.5° |
| N2 | C10 | C11 | 113.8° | 109.4° |
| N2 | C10 | C9 | 107.7° | 109.4° |
| N2 | C10 | H11 | 107.6° | 109.5° |
| C10 | N2 | H33 | 119.3° | 120.0° |
| C10 | C11 | C14 | 108.3° | 109.5° |
| C11 | C10 | C9 | 114.3° | 109.5° |
| C11 | C10 | H11 | 106.4° | 109.5° |
| C11 | C14 | H30 | 109.5° | 109.5° |
| C11 | C14 | H31 | 109.5° | 109.4° |
| C11 | C14 | H32 | 109.4° | 109.6° |
| C10 | C9 | O3 | 121.8° | 120.0° |
| C10 | C9 | N1 | 116.9° | 120.0° |
| C9 | C10 | H11 | 106.6° | 109.5° |
| O3 | C9 | N1 | 121.2° | 120.0° |
| C9 | N1 | C8 | 125.4° | 127.8° |
| C9 | N1 | C2 | 120.6° | 127.9° |
| C26 | N5 | C27 | 113.6° | 111.2° |
| N5 | C26 | C25 | 102.3° | 105.4° |
| N5 | C26 | H23 | 111.2° | 110.3° |
| N5 | C26 | H24 | 111.2° | 110.3° |
| C26 | N5 | H40 | 123.2° | 124.4° |
| N5 | C27 | O6 | 126.2° | 124.9° |
| N5 | C27 | C24 | 109.5° | 110.1° |
| C27 | N5 | H40 | 123.2° | 124.4° |
| C26 | C25 | C24 | 106.5° | 101.8° |
| C25 | C26 | H23 | 111.2° | 110.3° |
| C25 | C26 | H24 | 111.2° | 110.3° |
| C26 | C25 | H38 | 110.2° | 111.0° |
| C26 | C25 | H39 | 110.2° | 111.0° |
| O6 | C27 | C24 | 124.3° | 125.0° |
| C27 | C24 | C25 | 103.0° | 104.3° |
| C27 | C24 | C23 | 111.7° | 110.5° |
| C27 | C24 | H22 | 108.7° | 110.5° |
| C8 | N1 | C2 | 113.9° | 104.3° |
| N1 | C8 | C4 | 105.1° | 104.6° |
| N1 | C8 | H9 | 110.6° | 110.4° |
| N1 | C8 | H10 | 110.6° | 110.4° |
| N1 | C2 | C1 | 109.3° | 110.4° |
| N1 | C2 | C3 | 105.2° | 104.7° |
| N1 | C2 | H25 | 111.5° | 110.3° |
| C8 | C4 | C5 | 119.3° | 118.1° |
| C8 | C4 | C3 | 108.2° | 105.0° |
| C8 | C4 | H2 | 118.2° | 118.2° |
| C4 | C8 | H9 | 110.5° | 110.4° |
| C4 | C8 | H10 | 110.6° | 110.4° |
| C25 | C24 | C23 | 116.4° | 110.5° |
| C25 | C24 | H22 | 108.4° | 110.5° |
| C24 | C25 | H38 | 110.2° | 111.0° |
| C24 | C25 | H39 | 110.2° | 111.0° |
| C24 | C23 | C17 | 112.3° | 109.4° |
| C23 | C24 | H22 | 108.3° | 110.5° |
| C24 | C23 | H36 | 108.8° | 109.5° |
| C24 | C23 | H37 | 108.8° | 109.4° |
| C6 | C5 | C4 | 116.9° | 117.5° |
| C6 | C5 | C3 | 121.3° | 117.4° |
| C6 | C5 | C7 | 115.1° | 115.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.8° | 110.4° |
| C2 | C1 | O1 | 118.9° | 120.0° |
| C2 | C1 | N3 | 115.7° | 120.0° |
| C1 | C2 | H25 | 110.6° | 110.4° |
| C2 | C3 | C4 | 107.4° | 104.9° |
| C2 | C3 | C5 | 118.7° | 118.1° |
| C3 | C2 | H25 | 110.4° | 110.5° |
| C2 | C3 | H26 | 118.7° | 118.2° |
| C5 | C4 | C3 | 60.2° | 59.7° |
| C4 | C5 | C3 | 60.9° | 60.6° |
| C4 | C5 | C7 | 117.5° | 117.4° |
| C5 | C4 | H2 | 118.5° | 119.6° |
| C4 | C3 | C5 | 58.9° | 59.7° |
| C3 | C4 | H2 | 117.9° | 121.8° |
| C4 | C3 | H26 | 118.7° | 121.8° |
| O1 | C1 | N3 | 125.3° | 120.0° |
| C1 | N3 | C17 | 124.0° | 120.0° |
| C1 | N3 | H1 | 118.0° | 120.0° |
| C3 | C5 | C7 | 114.5° | 117.4° |
| C5 | C3 | H26 | 119.0° | 119.6° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.5° | 109.4° |
| C5 | C7 | H8 | 109.4° | 109.4° |
| C23 | C17 | N3 | 108.7° | 109.5° |
| C23 | C17 | C18 | 117.8° | 109.5° |
| C23 | C17 | H15 | 107.5° | 109.5° |
| C17 | C23 | H36 | 108.8° | 109.5° |
| C17 | C23 | H37 | 108.7° | 109.5° |
| N3 | C17 | C18 | 107.1° | 109.5° |
| C17 | N3 | H1 | 118.0° | 120.0° |
| N3 | C17 | H15 | 108.2° | 109.4° |
| C17 | C18 | O4 | 103.5° | 109.4° |
| C17 | C18 | C19 | 113.7° | 109.5° |
| C18 | C17 | H15 | 107.2° | 109.5° |
| C17 | C18 | H34 | 110.8° | 109.4° |
| O4 | C18 | C19 | 104.4° | 109.5° |
| O4 | C18 | H34 | 112.9° | 109.5° |
| C18 | O4 | H35 | 109.5° | 114.0° |
| C18 | C19 | O5 | 116.5° | 120.0° |
| C18 | C19 | N4 | 123.3° | 120.0° |
| C19 | C18 | H34 | 111.2° | 109.5° |
| O5 | C19 | N4 | 120.0° | 120.0° |
| C19 | N4 | C22 | 134.2° | 134.4° |
| C19 | N4 | C20 | 129.7° | 134.5° |
| C22 | N4 | C20 | 96.0° | 91.1° |
| N4 | C22 | C21 | 86.1° | 86.1° |
| N4 | C22 | H20 | 115.0° | 113.8° |
| N4 | C22 | H21 | 115.0° | 113.9° |
| N4 | C20 | C21 | 86.3° | 86.1° |
| N4 | C20 | H16 | 114.9° | 113.8° |
| N4 | C20 | H17 | 114.9° | 113.9° |
| C22 | C21 | C20 | 91.4° | 86.3° |
| C22 | C21 | H18 | 113.8° | 113.7° |
| C22 | C21 | H19 | 113.8° | 113.8° |
| C21 | C22 | H20 | 115.0° | 113.7° |
| C21 | C22 | H21 | 114.9° | 113.8° |
| C21 | C20 | H16 | 114.9° | 113.8° |
| C21 | C20 | H17 | 114.9° | 113.8° |
| C20 | C21 | H18 | 113.8° | 113.7° |
| C20 | C21 | H19 | 113.8° | 113.8° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.4° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| 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° | 110.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 112.9° |
| H18 | C21 | H19 | 109.4° | 113.0° |
| H20 | C22 | H21 | 109.5° | 112.9° |
| H23 | C26 | H24 | 109.5° | 110.2° |
| H27 | C12 | H28 | 109.5° | 109.4° |
| H27 | C12 | H29 | 109.4° | 109.5° |
| H28 | C12 | H29 | 109.4° | 109.5° |
| H30 | C14 | H31 | 109.4° | 109.4° |
| H30 | C14 | H32 | 109.4° | 109.5° |
| H31 | C14 | H32 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| H38 | C25 | H39 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C16 | F1 | F2 | 114.9° | 120.0° |
| F3 | C16 | F1 | C15 | 123.0° | 120.0° |
| F3 | C16 | F2 | C15 | 124.2° | 120.0° |
| F3 | C16 | C15 | O2 | 72.6° | 120.0° |
| F3 | C16 | C15 | N2 | 105.5° | 60.0° |
| F1 | C16 | F2 | C15 | 122.4° | 120.0° |
| F1 | C16 | C15 | O2 | 168.4° | 0.0° |
| F1 | C16 | C15 | N2 | 13.5° | 180.0° |
| F2 | C16 | C15 | O2 | 48.9° | 120.0° |
| F2 | C16 | C15 | N2 | 132.9° | 60.0° |
| C16 | C15 | O2 | N2 | 178.0° | 180.0° |
| C16 | C15 | N2 | C10 | 178.4° | 180.0° |
| C16 | C15 | N2 | H33 | 1.6° | 0.0° |
| C13 | C11 | C12 | C10 | 121.0° | 120.0° |
| C13 | C11 | C12 | C14 | 118.5° | 120.0° |
| C13 | C11 | C10 | N2 | 61.3° | 175.8° |
| C13 | C11 | C10 | C14 | 118.9° | 119.9° |
| C13 | C11 | C10 | C9 | 174.3° | 64.3° |
| C13 | C11 | C10 | H11 | 57.0° | 55.8° |
| C11 | C13 | H12 | H13 | 120.0° | 119.9° |
| C11 | C13 | H12 | H14 | 120.0° | 120.0° |
| C11 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C11 | C12 | H27 | 180.0° | 60.0° |
| C13 | C11 | C12 | H28 | 60.0° | 179.9° |
| C13 | C11 | C12 | H29 | 60.0° | 60.0° |
| C13 | C11 | C14 | H30 | 180.0° | 60.1° |
| C13 | C11 | C14 | H31 | 60.0° | 180.0° |
| C13 | C11 | C14 | H32 | 60.0° | 60.0° |
| O2 | C15 | N2 | C10 | 3.5° | 0.0° |
| O2 | C15 | N2 | H33 | 176.5° | 180.0° |
| C15 | N2 | C10 | H33 | 180.0° | 180.0° |
| C15 | N2 | C10 | C11 | 112.2° | 85.0° |
| C15 | N2 | C10 | C9 | 119.9° | 155.0° |
| C15 | N2 | C10 | H11 | 5.4° | 35.0° |
| C12 | C11 | C10 | N2 | 59.3° | 55.8° |
| C12 | C11 | C10 | C14 | 120.5° | 120.1° |
| C12 | C11 | C10 | C9 | 65.1° | 175.7° |
| C12 | C11 | C10 | H11 | 177.6° | 64.2° |
| C12 | C11 | C13 | H12 | 180.0° | 55.9° |
| C12 | C11 | C13 | H13 | 60.0° | 64.1° |
| C12 | C11 | C13 | H14 | 60.0° | 175.9° |
| C11 | C12 | H27 | H28 | 120.0° | 120.0° |
| C11 | C12 | H27 | H29 | 120.0° | 120.0° |
| C11 | C12 | H28 | H29 | 120.0° | 120.0° |
| C12 | C11 | C14 | H30 | 62.2° | 59.9° |
| C12 | C11 | C14 | H31 | 177.8° | 60.0° |
| C12 | C11 | C14 | H32 | 57.8° | 180.0° |
| N2 | C10 | C11 | C9 | 124.4° | 120.0° |
| N2 | C10 | C11 | H11 | 118.3° | 120.0° |
| N2 | C10 | C11 | C14 | 179.8° | 64.3° |
| N2 | C10 | C9 | H11 | 115.2° | 120.0° |
| N2 | C10 | C9 | O3 | 60.7° | 28.6° |
| N2 | C10 | C9 | N1 | 120.7° | 151.4° |
| C11 | C10 | C9 | H11 | 117.2° | 120.1° |
| C11 | C10 | C9 | O3 | 66.8° | 91.4° |
| C11 | C10 | C9 | N1 | 111.8° | 88.7° |
| C10 | C11 | C13 | H12 | 56.1° | 64.2° |
| C10 | C11 | C13 | H13 | 63.9° | 175.9° |
| C10 | C11 | C13 | H14 | 176.1° | 55.9° |
| C10 | C11 | C12 | H27 | 59.0° | 60.0° |
| C10 | C11 | C12 | H28 | 179.0° | 60.0° |
| C10 | C11 | C12 | H29 | 61.0° | 180.0° |
| C10 | C11 | C14 | H30 | 61.5° | 180.0° |
| C10 | C11 | C14 | H31 | 58.5° | 60.1° |
| C10 | C11 | C14 | H32 | 178.5° | 60.0° |
| C11 | C10 | N2 | H33 | 67.8° | 95.0° |
| C14 | C11 | C10 | C9 | 55.4° | 55.6° |
| C14 | C11 | C10 | H11 | 61.9° | 175.7° |
| C14 | C11 | C13 | H12 | 62.1° | 175.9° |
| C14 | C11 | C13 | H13 | 177.9° | 55.9° |
| C14 | C11 | C13 | H14 | 57.9° | 64.1° |
| C14 | C11 | C12 | H27 | 61.5° | 180.0° |
| C14 | C11 | C12 | H28 | 58.5° | 60.1° |
| C14 | C11 | C12 | H29 | 178.5° | 60.0° |
| C11 | C14 | H30 | H31 | 120.0° | 119.9° |
| C11 | C14 | H30 | H32 | 120.0° | 120.1° |
| C11 | C14 | H31 | H32 | 120.0° | 120.1° |
| C10 | C9 | O3 | N1 | 178.5° | 180.0° |
| C10 | C9 | N1 | C8 | 3.4° | 4.5° |
| C10 | C9 | N1 | C2 | 175.5° | 175.2° |
| C9 | C10 | N2 | H33 | 60.1° | 25.0° |
| O3 | C9 | N1 | C8 | 178.0° | 175.5° |
| O3 | C9 | N1 | C2 | 3.1° | 4.8° |
| O3 | C9 | C10 | H11 | 176.0° | 148.6° |
| C9 | N1 | C8 | C2 | 179.0° | 179.7° |
| C9 | N1 | C8 | C4 | 175.4° | 140.7° |
| C9 | N1 | C2 | C1 | 66.5° | 100.5° |
| C9 | N1 | C2 | C3 | 175.6° | 140.7° |
| C9 | N1 | C8 | H9 | 56.1° | 21.9° |
| C9 | N1 | C8 | H10 | 65.2° | 100.5° |
| N1 | C9 | C10 | H11 | 5.4° | 31.4° |
| C9 | N1 | C2 | H25 | 55.9° | 21.8° |
| C26 | N5 | C27 | H40 | 180.0° | 179.9° |
| N5 | C26 | C25 | H23 | 118.8° | 119.1° |
| N5 | C26 | C25 | H24 | 118.8° | 119.0° |
| C26 | N5 | C27 | O6 | 170.6° | 179.5° |
| C26 | N5 | C27 | C24 | 8.9° | 0.4° |
| N5 | C26 | C25 | C24 | 22.3° | 25.3° |
| N5 | C26 | H23 | H24 | 123.3° | 122.0° |
| N5 | C26 | C25 | H38 | 141.9° | 92.8° |
| N5 | C26 | C25 | H39 | 97.2° | 143.5° |
| C27 | N5 | C26 | C25 | 19.7° | 16.9° |
| N5 | C27 | O6 | C24 | 179.4° | 179.9° |
| N5 | C27 | C24 | C25 | 6.2° | 16.2° |
| N5 | C27 | C24 | C23 | 131.8° | 134.9° |
| N5 | C27 | C24 | H22 | 108.7° | 102.5° |
| C27 | N5 | C26 | H23 | 99.1° | 136.0° |
| C27 | N5 | C26 | H24 | 138.5° | 102.1° |
| C26 | C25 | C24 | C27 | 17.7° | 24.7° |
| C26 | C25 | C24 | H38 | 119.5° | 118.1° |
| C26 | C25 | C24 | H39 | 119.5° | 118.1° |
| C26 | C25 | C24 | C23 | 140.3° | 143.5° |
| C26 | C25 | C24 | H22 | 97.3° | 94.0° |
| C25 | C26 | H23 | H24 | 123.4° | 122.0° |
| C26 | C25 | H38 | H39 | 121.4° | 123.8° |
| C25 | C26 | N5 | H40 | 160.3° | 163.0° |
| O6 | C27 | C24 | C25 | 174.4° | 163.9° |
| O6 | C27 | C24 | C23 | 48.7° | 45.1° |
| O6 | C27 | C24 | H22 | 70.7° | 77.4° |
| O6 | C27 | N5 | H40 | 9.4° | 0.5° |
| C27 | C24 | C25 | C23 | 122.6° | 118.7° |
| C27 | C24 | C25 | H22 | 115.0° | 118.7° |
| C27 | C24 | C23 | H22 | 119.7° | 122.5° |
| C27 | C24 | C23 | C17 | 175.7° | 71.3° |
| C27 | C24 | C23 | H36 | 63.9° | 48.8° |
| C27 | C24 | C23 | H37 | 55.3° | 168.8° |
| C27 | C24 | C25 | H38 | 137.3° | 93.4° |
| C27 | C24 | C25 | H39 | 101.8° | 142.9° |
| C24 | C27 | N5 | H40 | 171.2° | 179.5° |
| N1 | C8 | C4 | H9 | 119.3° | 118.8° |
| N1 | C8 | C4 | H10 | 119.3° | 118.7° |
| C8 | N1 | C2 | C1 | 112.5° | 79.2° |
| C8 | N1 | C2 | C3 | 5.4° | 39.6° |
| N1 | C8 | C4 | C5 | 62.0° | 39.5° |
| N1 | C8 | C4 | C3 | 3.4° | 23.8° |
| N1 | C8 | C4 | H2 | 140.8° | 163.5° |
| N1 | C8 | H9 | H10 | 122.1° | 122.4° |
| C8 | N1 | C2 | H25 | 125.0° | 158.5° |
| C2 | N1 | C8 | C4 | 5.6° | 39.6° |
| N1 | C2 | C1 | C3 | 114.9° | 115.3° |
| N1 | C2 | C1 | H25 | 123.0° | 122.3° |
| N1 | C2 | C3 | H25 | 120.3° | 118.8° |
| N1 | C2 | C3 | C4 | 2.9° | 23.9° |
| N1 | C2 | C1 | O1 | 44.6° | 18.6° |
| N1 | C2 | C1 | N3 | 139.0° | 161.4° |
| N1 | C2 | C3 | C5 | 60.7° | 39.4° |
| C2 | N1 | C8 | H9 | 124.9° | 158.4° |
| C2 | N1 | C8 | H10 | 113.7° | 79.2° |
| N1 | C2 | C3 | H26 | 141.1° | 163.5° |
| C8 | C4 | C5 | C6 | 17.3° | 16.1° |
| C8 | C4 | C3 | C2 | 0.4° | 0.0° |
| C8 | C4 | C5 | C3 | 95.2° | 91.6° |
| C8 | C4 | C5 | H2 | 157.1° | 156.7° |
| C8 | C4 | C3 | H2 | 137.5° | 137.8° |
| C8 | C4 | C5 | C7 | 160.6° | 160.8° |
| C4 | C8 | H9 | H10 | 122.0° | 122.4° |
| C8 | C4 | C3 | H26 | 137.8° | 137.8° |
| C25 | C24 | C23 | H22 | 122.4° | 122.6° |
| C25 | C24 | C23 | C17 | 66.4° | 173.9° |
| C24 | C25 | C26 | H23 | 96.5° | 144.4° |
| C24 | C25 | C26 | H24 | 141.2° | 93.7° |
| C25 | C24 | C23 | H36 | 54.0° | 66.1° |
| C25 | C24 | C23 | H37 | 173.1° | 53.9° |
| C24 | C25 | H38 | H39 | 121.4° | 123.8° |
| C24 | C23 | C17 | H36 | 120.4° | 120.0° |
| C24 | C23 | C17 | H37 | 120.4° | 120.0° |
| C24 | C23 | C17 | N3 | 61.1° | 175.0° |
| C24 | C23 | C17 | C18 | 176.9° | 65.0° |
| C24 | C23 | C17 | H15 | 55.7° | 55.0° |
| C24 | C23 | H36 | H37 | 118.8° | 120.0° |
| C23 | C24 | C25 | H38 | 100.2° | 25.3° |
| C23 | C24 | C25 | H39 | 20.8° | 98.4° |
| C6 | C5 | C3 | C2 | 11.7° | 16.1° |
| C6 | C5 | C4 | C3 | 112.6° | 107.6° |
| C6 | C5 | C4 | C7 | 143.2° | 144.7° |
| C6 | C5 | C3 | C7 | 145.4° | 144.7° |
| C6 | C5 | C4 | H2 | 139.8° | 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 | H26 | 146.5° | 140.6° |
| C1 | C2 | C3 | H25 | 122.2° | 122.4° |
| C1 | C2 | C3 | C4 | 114.6° | 94.9° |
| C2 | C1 | O1 | N3 | 176.0° | 180.0° |
| C1 | C2 | C3 | C5 | 178.2° | 158.3° |
| C2 | C1 | N3 | C17 | 172.0° | 175.0° |
| C2 | C1 | N3 | H1 | 8.0° | 5.0° |
| C1 | C2 | C3 | H26 | 23.6° | 44.7° |
| C2 | C3 | C5 | C4 | 93.9° | 91.5° |
| C2 | C3 | C4 | H26 | 138.2° | 137.8° |
| C3 | C2 | C1 | O1 | 70.3° | 96.7° |
| C3 | C2 | C1 | N3 | 106.1° | 83.3° |
| C2 | C3 | C5 | H26 | 158.2° | 156.7° |
| C2 | C3 | C5 | C7 | 157.0° | 160.8° |
| C2 | C3 | C4 | H2 | 137.9° | 137.8° |
| C5 | C4 | C3 | H2 | 108.6° | 108.1° |
| C4 | C5 | C3 | C7 | 109.1° | 107.6° |
| C4 | C5 | C6 | H3 | 180.0° | 111.4° |
| C4 | C5 | C6 | H4 | 60.0° | 128.6° |
| C4 | C5 | C6 | H5 | 60.0° | 8.6° |
| C4 | C5 | C7 | H6 | 36.1° | 8.6° |
| C4 | C5 | C7 | H7 | 156.1° | 128.6° |
| C4 | C5 | C7 | H8 | 83.9° | 111.4° |
| C5 | C4 | C8 | H9 | 57.3° | 79.3° |
| C5 | C4 | C8 | H10 | 178.7° | 158.2° |
| C5 | C4 | C3 | H26 | 108.3° | 108.1° |
| C3 | C4 | C8 | H9 | 122.7° | 142.7° |
| C3 | C4 | C8 | H10 | 115.9° | 94.9° |
| C4 | C3 | C2 | H25 | 123.2° | 142.7° |
| O1 | C1 | N3 | C17 | 4.1° | 5.0° |
| O1 | C1 | N3 | H1 | 175.8° | 175.0° |
| O1 | C1 | C2 | H25 | 167.6° | 140.9° |
| C1 | N3 | C17 | C23 | 118.7° | 89.4° |
| C1 | N3 | C17 | H1 | 180.0° | 180.0° |
| C1 | N3 | C17 | C18 | 113.0° | 150.6° |
| C1 | N3 | C17 | H15 | 2.3° | 30.6° |
| N3 | C1 | C2 | H25 | 16.0° | 39.2° |
| C3 | C5 | C6 | H3 | 109.3° | 179.4° |
| C3 | C5 | C6 | H4 | 10.7° | 59.4° |
| C3 | C5 | C6 | H5 | 130.7° | 60.6° |
| C3 | C5 | C7 | H6 | 32.5° | 60.6° |
| C3 | C5 | C7 | H7 | 87.6° | 59.4° |
| C3 | C5 | C7 | H8 | 152.4° | 179.4° |
| C5 | C3 | C2 | H25 | 59.6° | 79.4° |
| C7 | C5 | C4 | H2 | 3.4° | 4.1° |
| C7 | C5 | C6 | H3 | 35.9° | 34.0° |
| C7 | C5 | C6 | H4 | 155.9° | 86.0° |
| C7 | C5 | C6 | H5 | 84.1° | 154.0° |
| C5 | C7 | H6 | H7 | 120.0° | 120.0° |
| C5 | C7 | H6 | H8 | 120.0° | 119.9° |
| C5 | C7 | H7 | H8 | 120.0° | 119.9° |
| C7 | C5 | C3 | H26 | 1.1° | 4.1° |
| C23 | C17 | N3 | C18 | 128.3° | 120.0° |
| C23 | C17 | N3 | H15 | 116.4° | 120.0° |
| C23 | C17 | C18 | H15 | 121.3° | 120.0° |
| C23 | C17 | C18 | O4 | 165.7° | 60.0° |
| C23 | C17 | C18 | C19 | 81.6° | 180.0° |
| C23 | C17 | N3 | H1 | 61.3° | 90.6° |
| C17 | C23 | C24 | H22 | 56.0° | 51.3° |
| C23 | C17 | C18 | H34 | 44.5° | 60.0° |
| C17 | C23 | H36 | H37 | 118.7° | 120.0° |
| N3 | C17 | C18 | H15 | 115.9° | 120.0° |
| N3 | C17 | C18 | O4 | 43.0° | 60.0° |
| N3 | C17 | C18 | C19 | 155.6° | 60.0° |
| N3 | C17 | C18 | H34 | 78.3° | 180.0° |
| N3 | C17 | C23 | H36 | 178.4° | 55.0° |
| N3 | C17 | C23 | H37 | 59.3° | 65.1° |
| C17 | C18 | O4 | C19 | 119.3° | 120.0° |
| C17 | C18 | O4 | H34 | 119.8° | 119.9° |
| C17 | C18 | C19 | H34 | 125.9° | 120.0° |
| C17 | C18 | C19 | O5 | 68.3° | 115.0° |
| C17 | C18 | C19 | N4 | 106.7° | 65.0° |
| C18 | C17 | N3 | H1 | 67.0° | 29.4° |
| C17 | C18 | O4 | H35 | 180.0° | 60.0° |
| C18 | C17 | C23 | H36 | 56.5° | 175.0° |
| C18 | C17 | C23 | H37 | 62.7° | 54.9° |
| O4 | C18 | C19 | H34 | 122.0° | 120.0° |
| O4 | C18 | C19 | O5 | 179.5° | 5.0° |
| O4 | C18 | C19 | N4 | 5.4° | 175.0° |
| O4 | C18 | C17 | H15 | 73.0° | 180.0° |
| C18 | C19 | O5 | N4 | 175.2° | 180.0° |
| C18 | C19 | N4 | C22 | 4.5° | 180.0° |
| C18 | C19 | N4 | C20 | 176.7° | 0.0° |
| C19 | C18 | C17 | H15 | 39.7° | 60.0° |
| C19 | C18 | O4 | H35 | 60.8° | 60.0° |
| O5 | C19 | N4 | C22 | 179.4° | 0.1° |
| O5 | C19 | N4 | C20 | 1.8° | 180.0° |
| O5 | C19 | C18 | H34 | 57.5° | 125.0° |
| C19 | N4 | C22 | C20 | 179.1° | 179.9° |
| C19 | N4 | C22 | C21 | 175.6° | 155.3° |
| C19 | N4 | C20 | C21 | 175.6° | 155.3° |
| C19 | N4 | C20 | H16 | 68.6° | 41.0° |
| C19 | N4 | C20 | H17 | 59.8° | 90.4° |
| C19 | N4 | C22 | H20 | 59.8° | 90.4° |
| C19 | N4 | C22 | H21 | 68.7° | 41.0° |
| N4 | C19 | C18 | H34 | 127.4° | 55.0° |
| N4 | C22 | C21 | H20 | 115.8° | 114.3° |
| N4 | C22 | C21 | H21 | 115.8° | 114.5° |
| C22 | N4 | C20 | C21 | 3.5° | 24.6° |
| C22 | N4 | C20 | H16 | 112.3° | 138.9° |
| C22 | N4 | C20 | H17 | 119.3° | 89.7° |
| N4 | C22 | C21 | H18 | 113.5° | 137.9° |
| N4 | C22 | C21 | H19 | 120.2° | 90.8° |
| N4 | C22 | H20 | H21 | 131.2° | 131.9° |
| N4 | C20 | C21 | H16 | 115.8° | 114.3° |
| N4 | C20 | C21 | H17 | 115.8° | 114.4° |
| N4 | C20 | H16 | H17 | 131.0° | 131.8° |
| N4 | C20 | C21 | H18 | 113.5° | 137.9° |
| N4 | C20 | C21 | H19 | 120.2° | 90.9° |
| C20 | N4 | C22 | H20 | 119.3° | 89.6° |
| C20 | N4 | C22 | H21 | 112.2° | 138.9° |
| C22 | C21 | C20 | H18 | 116.9° | 114.3° |
| C22 | C21 | C20 | H19 | 116.8° | 114.4° |
| C22 | C21 | C20 | H16 | 112.5° | 137.9° |
| C22 | C21 | C20 | H17 | 119.2° | 90.8° |
| C22 | C21 | H18 | H19 | 128.5° | 131.7° |
| C21 | C22 | H20 | H21 | 131.1° | 131.6° |
| C21 | C20 | H16 | H17 | 131.1° | 131.7° |
| C20 | C21 | H18 | H19 | 128.6° | 131.6° |
| C20 | C21 | C22 | H20 | 119.1° | 90.7° |
| C20 | C21 | C22 | H21 | 112.4° | 138.1° |
| H1 | N3 | C17 | H15 | 177.7° | 149.4° |
| H2 | C4 | C8 | H9 | 99.9° | 77.7° |
| H2 | C4 | C8 | H10 | 21.5° | 44.8° |
| H2 | C4 | C3 | H26 | 0.3° | 0.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.1° |
| H11 | C10 | N2 | H33 | 174.7° | 145.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.1° |
| H15 | C17 | C18 | H34 | 165.8° | 60.1° |
| H15 | C17 | C23 | H36 | 64.7° | 65.0° |
| H15 | C17 | C23 | H37 | 176.2° | 175.0° |
| H16 | C20 | C21 | H18 | 130.7° | 107.8° |
| H16 | C20 | C21 | H19 | 4.4° | 23.5° |
| H17 | C20 | C21 | H18 | 2.3° | 23.5° |
| H17 | C20 | C21 | H19 | 124.0° | 154.7° |
| H18 | C21 | C22 | H20 | 2.3° | 23.6° |
| H18 | C21 | C22 | H21 | 130.7° | 107.6° |
| H19 | C21 | C22 | H20 | 124.0° | 154.9° |
| H19 | C21 | C22 | H21 | 4.4° | 23.7° |
| H22 | C24 | C23 | H36 | 176.4° | 171.3° |
| H22 | C24 | C23 | H37 | 64.4° | 68.7° |
| H22 | C24 | C25 | H38 | 22.2° | 147.9° |
| H22 | C24 | C25 | H39 | 143.2° | 24.2° |
| H23 | C26 | C25 | H38 | 23.0° | 26.2° |
| H23 | C26 | C25 | H39 | 144.0° | 97.4° |
| H23 | C26 | N5 | H40 | 80.9° | 43.9° |
| H24 | C26 | C25 | H38 | 99.3° | 148.2° |
| H24 | C26 | C25 | H39 | 21.6° | 24.5° |
| H24 | C26 | N5 | H40 | 41.5° | 78.0° |
| H25 | C2 | C3 | H26 | 98.6° | 77.7° |
| H27 | C12 | H28 | H29 | 119.9° | 120.0° |
| H30 | C14 | H31 | H32 | 120.0° | 119.9° |
| H34 | C18 | O4 | H35 | 60.2° | 180.0° |
