X6T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C16 | sing | 1.40Å | 1.33Å | |
| F3 | C16 | sing | 1.40Å | 1.31Å | |
| C16 | F2 | sing | 1.40Å | 1.32Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | O2 | doub | 1.21Å | 1.21Å | |
| C15 | N2 | sing | 1.35Å | 1.32Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N2 | C10 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | N5 | sing | 1.46Å | 1.46Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| N5 | C30 | sing | 1.33Å | 1.33Å | |
| O3 | C9 | doub | 1.21Å | 1.22Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| C30 | O6 | doub | 1.21Å | 1.24Å | |
| C30 | C26 | sing | 1.50Å | 1.51Å | |
| N1 | C8 | sing | 1.48Å | 1.47Å | |
| N1 | C2 | sing | 1.48Å | 1.45Å | |
| C8 | C4 | sing | 1.54Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C25 | C17 | sing | 1.53Å | 1.54Å | |
| C5 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| N3 | C17 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | O5 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| O4 | C19 | doub | 1.21Å | 1.21Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C20 | sing | 1.48Å | 1.48Å | |
| N4 | C24 | sing | 1.48Å | 1.48Å | |
| C20 | C21 | sing | 1.54Å | 1.55Å | |
| C21 | C24 | sing | 1.54Å | 1.55Å | |
| C21 | C23 | sing | 1.53Å | 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 | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| N2 | H27 | sing | 0.97Å | 1.00Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| O5 | H30 | sing | 0.97Å | 0.95Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C16 | F3 | 112.9° | 109.4° |
| F1 | C16 | F2 | 104.9° | 109.5° |
| F1 | C16 | C15 | 111.0° | 109.5° |
| F3 | C16 | F2 | 108.6° | 109.5° |
| F3 | C16 | C15 | 109.3° | 109.5° |
| F2 | C16 | C15 | 110.1° | 109.5° |
| C16 | C15 | O2 | 118.7° | 120.0° |
| C16 | C15 | N2 | 113.5° | 120.0° |
| C13 | C11 | C12 | 110.0° | 109.5° |
| C13 | C11 | C10 | 106.4° | 109.5° |
| C13 | C11 | C14 | 108.6° | 109.4° |
| C11 | C13 | H12 | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.5° | 109.6° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| O2 | C15 | N2 | 127.8° | 120.0° |
| C15 | N2 | C10 | 123.2° | 120.0° |
| C15 | N2 | H27 | 118.4° | 120.0° |
| C12 | C11 | C10 | 113.4° | 109.5° |
| C12 | C11 | C14 | 108.2° | 109.5° |
| C11 | C12 | H31 | 109.5° | 109.5° |
| C11 | C12 | H32 | 109.5° | 109.5° |
| C11 | C12 | H33 | 109.5° | 109.5° |
| N2 | C10 | C11 | 113.1° | 109.4° |
| N2 | C10 | C9 | 104.5° | 109.5° |
| N2 | C10 | H11 | 108.3° | 109.4° |
| C10 | N2 | H27 | 118.4° | 120.0° |
| C10 | C11 | C14 | 110.2° | 109.5° |
| C11 | C10 | C9 | 116.1° | 109.5° |
| C11 | C10 | H11 | 107.1° | 109.5° |
| C11 | C14 | H34 | 109.5° | 109.5° |
| C11 | C14 | H35 | 109.5° | 109.4° |
| C11 | C14 | H36 | 109.4° | 109.4° |
| C10 | C9 | O3 | 121.7° | 120.0° |
| C10 | C9 | N1 | 116.3° | 120.0° |
| C9 | C10 | H11 | 107.4° | 109.5° |
| C28 | C29 | N5 | 111.4° | 110.5° |
| C29 | C28 | C27 | 109.0° | 108.7° |
| C29 | C28 | H24 | 109.6° | 109.6° |
| C29 | C28 | H25 | 109.6° | 109.8° |
| C28 | C29 | H45 | 109.0° | 109.3° |
| C28 | C29 | H46 | 109.0° | 109.3° |
| C29 | N5 | C30 | 127.2° | 124.1° |
| C29 | N5 | H29 | 116.3° | 117.9° |
| N5 | C29 | H45 | 109.0° | 109.2° |
| N5 | C29 | H46 | 109.0° | 109.3° |
| C28 | C27 | C26 | 112.8° | 108.4° |
| C27 | C28 | H24 | 109.6° | 109.6° |
| C27 | C28 | H25 | 109.6° | 109.6° |
| C28 | C27 | H43 | 108.6° | 109.7° |
| C28 | C27 | H44 | 108.6° | 109.7° |
| N5 | C30 | O6 | 121.2° | 118.2° |
| N5 | C30 | C26 | 118.9° | 123.5° |
| C30 | N5 | H29 | 116.4° | 118.0° |
| O3 | C9 | N1 | 122.0° | 120.0° |
| C9 | N1 | C8 | 127.5° | 127.8° |
| C9 | N1 | C2 | 118.5° | 127.9° |
| O6 | C30 | C26 | 119.8° | 118.3° |
| C30 | C26 | C27 | 113.8° | 109.8° |
| C30 | C26 | C25 | 109.4° | 109.4° |
| C30 | C26 | H23 | 106.8° | 109.4° |
| C8 | N1 | C2 | 114.0° | 104.3° |
| N1 | C8 | C4 | 104.6° | 104.6° |
| N1 | C8 | H9 | 110.7° | 110.4° |
| N1 | C8 | H10 | 110.7° | 110.4° |
| N1 | C2 | C1 | 107.8° | 110.5° |
| N1 | C2 | C3 | 103.9° | 104.6° |
| N1 | C2 | H26 | 110.6° | 110.4° |
| C8 | C4 | C5 | 121.5° | 118.1° |
| C8 | C4 | C3 | 107.4° | 105.0° |
| C8 | C4 | H2 | 117.7° | 118.1° |
| C4 | C8 | H9 | 110.7° | 110.4° |
| C4 | C8 | H10 | 110.7° | 110.4° |
| C27 | C26 | C25 | 113.3° | 109.4° |
| C27 | C26 | H23 | 106.5° | 109.4° |
| C26 | C27 | H43 | 108.6° | 109.7° |
| C26 | C27 | H44 | 108.6° | 109.7° |
| C26 | C25 | C17 | 113.4° | 109.4° |
| C25 | C26 | H23 | 106.5° | 109.4° |
| C26 | C25 | H41 | 108.5° | 109.5° |
| C26 | C25 | H42 | 108.5° | 109.5° |
| C6 | C5 | C4 | 117.7° | 117.5° |
| C6 | C5 | C3 | 122.0° | 117.5° |
| C6 | C5 | C7 | 112.7° | 115.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.4° | 109.4° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C1 | C2 | C3 | 115.2° | 110.4° |
| C2 | C1 | O1 | 123.9° | 119.9° |
| C2 | C1 | N3 | 112.2° | 120.1° |
| C1 | C2 | H26 | 109.6° | 110.3° |
| C2 | C3 | C4 | 108.5° | 105.0° |
| C2 | C3 | C5 | 117.9° | 118.1° |
| C3 | C2 | H26 | 109.5° | 110.5° |
| C2 | C3 | H28 | 118.4° | 118.2° |
| O1 | C1 | N3 | 123.9° | 120.0° |
| C5 | C4 | C3 | 60.0° | 59.7° |
| C4 | C5 | C3 | 59.9° | 60.5° |
| C4 | C5 | C7 | 118.6° | 117.4° |
| C5 | C4 | H2 | 117.6° | 119.6° |
| C4 | C3 | C5 | 60.1° | 59.7° |
| C3 | C4 | H2 | 117.7° | 121.8° |
| C4 | C3 | H28 | 118.9° | 121.8° |
| C1 | N3 | C17 | 123.5° | 120.0° |
| C1 | N3 | H1 | 118.2° | 120.0° |
| C25 | C17 | N3 | 109.3° | 109.4° |
| C25 | C17 | C18 | 117.6° | 109.5° |
| C25 | C17 | H15 | 107.8° | 109.5° |
| C17 | C25 | H41 | 108.5° | 109.5° |
| C17 | C25 | H42 | 108.5° | 109.4° |
| C3 | C5 | C7 | 116.5° | 117.4° |
| C5 | C3 | H28 | 118.8° | 119.5° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.5° | 109.5° |
| C5 | C7 | H8 | 109.5° | 109.4° |
| N3 | C17 | C18 | 105.3° | 109.5° |
| C17 | N3 | H1 | 118.3° | 120.0° |
| N3 | C17 | H15 | 108.8° | 109.4° |
| C17 | C18 | O5 | 110.8° | 109.5° |
| C17 | C18 | C19 | 104.9° | 109.5° |
| C18 | C17 | H15 | 107.7° | 109.5° |
| C17 | C18 | H37 | 109.6° | 109.4° |
| O5 | C18 | C19 | 110.0° | 109.5° |
| C18 | O5 | H30 | 109.5° | 114.0° |
| O5 | C18 | H37 | 111.3° | 109.5° |
| C18 | C19 | O4 | 117.7° | 120.0° |
| C18 | C19 | N4 | 119.6° | 120.0° |
| C19 | C18 | H37 | 110.0° | 109.5° |
| C22 | C21 | C20 | 113.8° | 113.8° |
| C22 | C21 | C24 | 115.4° | 113.8° |
| C22 | C21 | C23 | 110.8° | 113.0° |
| C21 | C22 | H18 | 109.5° | 109.4° |
| C21 | C22 | H19 | 109.5° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.4° |
| O4 | C19 | N4 | 122.4° | 120.0° |
| C19 | N4 | C20 | 134.1° | 134.5° |
| C19 | N4 | C24 | 131.4° | 134.5° |
| C20 | N4 | C24 | 94.4° | 91.0° |
| N4 | C20 | C21 | 87.5° | 86.1° |
| N4 | C20 | H16 | 114.6° | 113.8° |
| N4 | C20 | H17 | 114.7° | 113.9° |
| N4 | C24 | C21 | 87.8° | 86.1° |
| N4 | C24 | H21 | 114.6° | 113.8° |
| N4 | C24 | H22 | 114.6° | 113.8° |
| C20 | C21 | C24 | 88.8° | 86.3° |
| C20 | C21 | C23 | 115.1° | 113.8° |
| C21 | C20 | H16 | 114.6° | 113.7° |
| C21 | C20 | H17 | 114.6° | 113.8° |
| C24 | C21 | C23 | 111.6° | 113.7° |
| C21 | C24 | H21 | 114.6° | 113.8° |
| C21 | C24 | H22 | 114.6° | 113.8° |
| C21 | C23 | H38 | 109.5° | 109.5° |
| C21 | C23 | H39 | 109.5° | 109.5° |
| C21 | C23 | H40 | 109.5° | 109.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 110.5° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H12 | C13 | H14 | 109.4° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H16 | C20 | H17 | 109.5° | 113.0° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.4° | 109.5° |
| H21 | C24 | H22 | 109.5° | 113.0° |
| H24 | C28 | H25 | 109.5° | 109.6° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H31 | C12 | H33 | 109.5° | 109.4° |
| H32 | C12 | H33 | 109.5° | 109.4° |
| H34 | C14 | H35 | 109.5° | 109.5° |
| H34 | C14 | H36 | 109.5° | 109.5° |
| H35 | C14 | H36 | 109.5° | 109.4° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H38 | C23 | H40 | 109.5° | 109.4° |
| H39 | C23 | H40 | 109.4° | 109.5° |
| H41 | C25 | H42 | 109.5° | 109.5° |
| H43 | C27 | H44 | 109.5° | 109.7° |
| H45 | C29 | H46 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C16 | F3 | F2 | 115.8° | 120.0° |
| F1 | C16 | F3 | C15 | 124.1° | 120.0° |
| F1 | C16 | F2 | C15 | 119.5° | 120.0° |
| F1 | C16 | C15 | O2 | 113.5° | 120.0° |
| F1 | C16 | C15 | N2 | 66.9° | 60.0° |
| F3 | C16 | F2 | C15 | 119.6° | 120.0° |
| F3 | C16 | C15 | O2 | 11.7° | 120.0° |
| F3 | C16 | C15 | N2 | 167.9° | 60.0° |
| F2 | C16 | C15 | O2 | 130.9° | 0.0° |
| F2 | C16 | C15 | N2 | 48.7° | 180.0° |
| C16 | C15 | O2 | N2 | 179.5° | 180.0° |
| C16 | C15 | N2 | C10 | 178.2° | 180.0° |
| C16 | C15 | N2 | H27 | 1.8° | 0.1° |
| C13 | C11 | C12 | C10 | 119.0° | 120.0° |
| C13 | C11 | C12 | C14 | 118.5° | 119.9° |
| C13 | C11 | C10 | N2 | 64.1° | 175.7° |
| C13 | C11 | C10 | C14 | 117.5° | 120.0° |
| C13 | C11 | C10 | C9 | 175.0° | 64.3° |
| C13 | C11 | C10 | H11 | 55.1° | 55.7° |
| C11 | C13 | H12 | H13 | 120.0° | 120.1° |
| C11 | C13 | H12 | H14 | 120.0° | 120.0° |
| C11 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C11 | C12 | H31 | 180.0° | 60.0° |
| C13 | C11 | C12 | H32 | 60.0° | 180.0° |
| C13 | C11 | C12 | H33 | 60.0° | 60.0° |
| C13 | C11 | C14 | H34 | 180.0° | 60.0° |
| C13 | C11 | C14 | H35 | 60.0° | 180.0° |
| C13 | C11 | C14 | H36 | 60.0° | 60.1° |
| O2 | C15 | N2 | C10 | 2.2° | 0.0° |
| O2 | C15 | N2 | H27 | 177.8° | 180.0° |
| C15 | N2 | C10 | H27 | 180.0° | 179.9° |
| C15 | N2 | C10 | C11 | 116.0° | 85.0° |
| C15 | N2 | C10 | C9 | 116.7° | 155.0° |
| C15 | N2 | C10 | H11 | 2.5° | 34.9° |
| C12 | C11 | C10 | N2 | 56.9° | 55.7° |
| C12 | C11 | C10 | C14 | 121.4° | 120.0° |
| C12 | C11 | C10 | C9 | 64.0° | 175.7° |
| C12 | C11 | C10 | H11 | 176.1° | 64.3° |
| 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 | H31 | H32 | 120.0° | 120.0° |
| C11 | C12 | H31 | H33 | 120.0° | 120.0° |
| C11 | C12 | H32 | H33 | 120.0° | 120.0° |
| C12 | C11 | C14 | H34 | 60.7° | 60.0° |
| C12 | C11 | C14 | H35 | 179.3° | 60.1° |
| C12 | C11 | C14 | H36 | 59.3° | 180.0° |
| N2 | C10 | C11 | C9 | 120.9° | 120.0° |
| N2 | C10 | C11 | H11 | 119.2° | 119.9° |
| N2 | C10 | C11 | C14 | 178.3° | 64.4° |
| N2 | C10 | C9 | H11 | 114.9° | 120.0° |
| N2 | C10 | C9 | O3 | 54.7° | 28.7° |
| N2 | C10 | C9 | N1 | 123.5° | 151.2° |
| C11 | C10 | C9 | H11 | 119.8° | 120.0° |
| C11 | C10 | C9 | O3 | 70.6° | 91.3° |
| C11 | C10 | C9 | N1 | 111.1° | 88.8° |
| C10 | C11 | C13 | H12 | 56.8° | 64.1° |
| C10 | C11 | C13 | H13 | 63.3° | 175.9° |
| C10 | C11 | C13 | H14 | 176.8° | 55.9° |
| C11 | C10 | N2 | H27 | 64.0° | 95.1° |
| C10 | C11 | C12 | H31 | 61.0° | 60.0° |
| C10 | C11 | C12 | H32 | 179.0° | 60.0° |
| C10 | C11 | C12 | H33 | 59.0° | 180.0° |
| C10 | C11 | C14 | H34 | 63.8° | 180.0° |
| C10 | C11 | C14 | H35 | 56.2° | 60.0° |
| C10 | C11 | C14 | H36 | 176.2° | 60.0° |
| C14 | C11 | C10 | C9 | 57.4° | 55.7° |
| C14 | C11 | C10 | H11 | 62.5° | 175.7° |
| C14 | C11 | C13 | H12 | 61.8° | 175.8° |
| C14 | C11 | C13 | H13 | 178.2° | 55.8° |
| C14 | C11 | C13 | H14 | 58.2° | 64.2° |
| C14 | C11 | C12 | H31 | 61.5° | 179.9° |
| C14 | C11 | C12 | H32 | 58.5° | 60.0° |
| C14 | C11 | C12 | H33 | 178.5° | 59.9° |
| C11 | C14 | H34 | H35 | 120.0° | 120.0° |
| C11 | C14 | H34 | H36 | 120.0° | 120.0° |
| C11 | C14 | H35 | H36 | 120.0° | 119.9° |
| C10 | C9 | O3 | N1 | 178.2° | 179.9° |
| C10 | C9 | N1 | C8 | 8.2° | 4.6° |
| C10 | C9 | N1 | C2 | 170.9° | 175.0° |
| C9 | C10 | N2 | H27 | 63.3° | 24.9° |
| C28 | C29 | N5 | H45 | 120.3° | 120.3° |
| C28 | C29 | N5 | H46 | 120.3° | 120.4° |
| C29 | C28 | C27 | H24 | 119.9° | 119.7° |
| C29 | C28 | C27 | H25 | 119.9° | 120.0° |
| C28 | C29 | N5 | C30 | 23.6° | 19.0° |
| C29 | C28 | C27 | C26 | 58.7° | 67.6° |
| C29 | C28 | H24 | H25 | 120.3° | 120.5° |
| C28 | C29 | N5 | H29 | 156.4° | 161.0° |
| C29 | C28 | C27 | H43 | 179.2° | 52.1° |
| C29 | C28 | C27 | H44 | 61.8° | 172.7° |
| C28 | C29 | H45 | H46 | 119.1° | 119.5° |
| N5 | C29 | C28 | C27 | 49.7° | 50.7° |
| C29 | N5 | C30 | H29 | 180.0° | 180.0° |
| C29 | N5 | C30 | O6 | 178.0° | 177.8° |
| C29 | N5 | C30 | C26 | 2.6° | 2.2° |
| N5 | C29 | C28 | H24 | 70.2° | 170.4° |
| N5 | C29 | C28 | H25 | 169.6° | 69.2° |
| N5 | C29 | H45 | H46 | 119.1° | 119.5° |
| C28 | C27 | C26 | C30 | 38.3° | 49.0° |
| C28 | C27 | C26 | H43 | 120.5° | 119.7° |
| C28 | C27 | C26 | H44 | 120.5° | 119.7° |
| C28 | C27 | C26 | C25 | 164.2° | 169.0° |
| C28 | C27 | C26 | H23 | 79.1° | 71.1° |
| C27 | C28 | H24 | H25 | 120.2° | 120.4° |
| C28 | C27 | H43 | H44 | 118.5° | 120.6° |
| C27 | C28 | C29 | H45 | 70.6° | 69.5° |
| C27 | C28 | C29 | H46 | 170.0° | 171.1° |
| N5 | C30 | O6 | C26 | 179.4° | 179.9° |
| N5 | C30 | C26 | C27 | 9.6° | 17.7° |
| N5 | C30 | C26 | C25 | 137.5° | 137.7° |
| N5 | C30 | C26 | H23 | 107.6° | 102.4° |
| C30 | N5 | C29 | H45 | 96.7° | 101.3° |
| C30 | N5 | C29 | H46 | 143.9° | 139.4° |
| O3 | C9 | N1 | C8 | 170.1° | 175.3° |
| O3 | C9 | N1 | C2 | 10.8° | 5.1° |
| O3 | C9 | C10 | H11 | 169.6° | 148.7° |
| C9 | N1 | C8 | C2 | 179.2° | 179.7° |
| C9 | N1 | C8 | C4 | 167.3° | 140.7° |
| C9 | N1 | C2 | C1 | 67.1° | 100.5° |
| C9 | N1 | C2 | C3 | 170.2° | 140.7° |
| C9 | N1 | C8 | H9 | 48.1° | 22.0° |
| C9 | N1 | C8 | H10 | 73.5° | 100.5° |
| N1 | C9 | C10 | H11 | 8.7° | 31.2° |
| C9 | N1 | C2 | H26 | 52.8° | 21.8° |
| O6 | C30 | C26 | C27 | 171.0° | 162.4° |
| O6 | C30 | C26 | C25 | 43.1° | 42.4° |
| O6 | C30 | C26 | H23 | 71.8° | 77.5° |
| O6 | C30 | N5 | H29 | 2.0° | 2.1° |
| C30 | C26 | C27 | C25 | 125.9° | 120.0° |
| C30 | C26 | C27 | H23 | 117.3° | 120.1° |
| C30 | C26 | C25 | H23 | 115.1° | 119.8° |
| C30 | C26 | C25 | C17 | 174.0° | 68.4° |
| C26 | C30 | N5 | H29 | 177.4° | 177.8° |
| C30 | C26 | C25 | H41 | 65.4° | 51.6° |
| C30 | C26 | C25 | H42 | 53.4° | 171.6° |
| C30 | C26 | C27 | H43 | 158.8° | 70.7° |
| C30 | C26 | C27 | H44 | 82.2° | 168.7° |
| N1 | C8 | C4 | H9 | 119.2° | 118.7° |
| N1 | C8 | C4 | H10 | 119.2° | 118.8° |
| C8 | N1 | C2 | C1 | 112.2° | 79.2° |
| C8 | N1 | C2 | C3 | 10.5° | 39.6° |
| N1 | C8 | C4 | C5 | 54.5° | 39.5° |
| N1 | C8 | C4 | C3 | 10.5° | 23.9° |
| N1 | C8 | C4 | H2 | 146.2° | 163.5° |
| N1 | C8 | H9 | H10 | 122.3° | 122.4° |
| C8 | N1 | C2 | H26 | 128.0° | 158.5° |
| C2 | N1 | C8 | C4 | 13.5° | 39.6° |
| N1 | C2 | C1 | C3 | 115.5° | 115.2° |
| N1 | C2 | C1 | H26 | 120.5° | 122.3° |
| N1 | C2 | C3 | H26 | 118.2° | 118.8° |
| N1 | C2 | C1 | O1 | 39.0° | 14.2° |
| N1 | C2 | C3 | C4 | 3.2° | 23.9° |
| N1 | C2 | C1 | N3 | 138.7° | 165.8° |
| N1 | C2 | C3 | C5 | 62.2° | 39.4° |
| C2 | N1 | C8 | H9 | 132.7° | 158.4° |
| C2 | N1 | C8 | H10 | 105.7° | 79.2° |
| N1 | C2 | C3 | H28 | 142.8° | 163.6° |
| C8 | C4 | C5 | C6 | 19.8° | 16.1° |
| C8 | C4 | C3 | C2 | 4.7° | 0.0° |
| C8 | C4 | C5 | C3 | 92.9° | 91.6° |
| C8 | C4 | C5 | H2 | 159.4° | 156.7° |
| C8 | C4 | C3 | H2 | 135.7° | 137.8° |
| C8 | C4 | C5 | C7 | 161.3° | 160.8° |
| C4 | C8 | H9 | H10 | 122.3° | 122.5° |
| C8 | C4 | C3 | H28 | 134.7° | 137.8° |
| C27 | C26 | C25 | H23 | 116.7° | 119.9° |
| C27 | C26 | C25 | C17 | 57.8° | 171.3° |
| C26 | C27 | C28 | H24 | 61.3° | 172.7° |
| C26 | C27 | C28 | H25 | 178.6° | 52.4° |
| C27 | C26 | C25 | H41 | 62.8° | 68.7° |
| C27 | C26 | C25 | H42 | 178.4° | 51.3° |
| C26 | C27 | H43 | H44 | 118.4° | 120.5° |
| C26 | C25 | C17 | H41 | 120.6° | 120.0° |
| C26 | C25 | C17 | H42 | 120.6° | 120.0° |
| C26 | C25 | C17 | N3 | 62.1° | 176.6° |
| C26 | C25 | C17 | C18 | 178.0° | 63.4° |
| C26 | C25 | C17 | H15 | 56.1° | 56.7° |
| C26 | C25 | H41 | H42 | 118.2° | 120.0° |
| C25 | C26 | C27 | H43 | 75.3° | 49.3° |
| C25 | C26 | C27 | H44 | 43.7° | 71.3° |
| C6 | C5 | C3 | C2 | 9.3° | 16.1° |
| C6 | C5 | C4 | C3 | 112.8° | 107.7° |
| C6 | C5 | C4 | C7 | 141.5° | 144.7° |
| C6 | C5 | C3 | C7 | 145.1° | 144.7° |
| C6 | C5 | C4 | H2 | 139.5° | 140.5° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.1° |
| C5 | C6 | H4 | H5 | 120.0° | 119.9° |
| C6 | C5 | C7 | H6 | 180.0° | 153.9° |
| C6 | C5 | C7 | H7 | 60.0° | 86.0° |
| C6 | C5 | C7 | H8 | 60.0° | 34.0° |
| C6 | C5 | C3 | H28 | 145.6° | 140.6° |
| C1 | C2 | C3 | H26 | 124.0° | 122.3° |
| C2 | C1 | O1 | N3 | 177.4° | 180.0° |
| C1 | C2 | C3 | C4 | 114.6° | 95.0° |
| C1 | C2 | C3 | C5 | 179.9° | 158.3° |
| C2 | C1 | N3 | C17 | 170.6° | 175.0° |
| C2 | C1 | N3 | H1 | 9.4° | 5.0° |
| C1 | C2 | C3 | H28 | 25.0° | 44.7° |
| C3 | C2 | C1 | O1 | 76.5° | 101.1° |
| C2 | C3 | C5 | C4 | 96.4° | 91.6° |
| C2 | C3 | C4 | H28 | 139.4° | 137.8° |
| C3 | C2 | C1 | N3 | 105.8° | 79.0° |
| C2 | C3 | C5 | H28 | 155.0° | 156.6° |
| C2 | C3 | C5 | C7 | 154.4° | 160.8° |
| C2 | C3 | C4 | H2 | 140.4° | 137.8° |
| O1 | C1 | N3 | C17 | 11.7° | 5.0° |
| O1 | C1 | N3 | H1 | 168.2° | 175.0° |
| O1 | C1 | C2 | H26 | 159.5° | 136.5° |
| C5 | C4 | C3 | H2 | 107.6° | 108.1° |
| C4 | C5 | C3 | C7 | 109.2° | 107.6° |
| C4 | C5 | C6 | H3 | 180.0° | 111.4° |
| C4 | C5 | C6 | H4 | 60.0° | 128.6° |
| C4 | C5 | C6 | H5 | 60.0° | 8.7° |
| C4 | C5 | C7 | H6 | 36.7° | 8.6° |
| C4 | C5 | C7 | H7 | 156.7° | 128.6° |
| C4 | C5 | C7 | H8 | 83.3° | 111.4° |
| C5 | C4 | C8 | H9 | 64.7° | 79.3° |
| C5 | C4 | C8 | H10 | 173.7° | 158.2° |
| C5 | C4 | C3 | H28 | 108.5° | 108.0° |
| C3 | C4 | C8 | H9 | 129.7° | 142.6° |
| C3 | C4 | C8 | H10 | 108.7° | 94.9° |
| C4 | C3 | C2 | H26 | 121.4° | 142.7° |
| C1 | N3 | C17 | C25 | 121.2° | 89.3° |
| C1 | N3 | C17 | H1 | 180.0° | 180.0° |
| C1 | N3 | C17 | C18 | 111.6° | 150.7° |
| C1 | N3 | C17 | H15 | 3.6° | 30.7° |
| N3 | C1 | C2 | H26 | 18.2° | 43.5° |
| C25 | C17 | N3 | C18 | 127.2° | 120.0° |
| C25 | C17 | N3 | H15 | 117.6° | 120.0° |
| C25 | C17 | C18 | H15 | 122.0° | 120.1° |
| C25 | C17 | C18 | O5 | 161.0° | 60.0° |
| C25 | C17 | C18 | C19 | 80.3° | 180.0° |
| C25 | C17 | N3 | H1 | 58.8° | 90.8° |
| C17 | C25 | C26 | H23 | 58.9° | 51.4° |
| C25 | C17 | C18 | H37 | 37.8° | 60.1° |
| C17 | C25 | H41 | H42 | 118.2° | 120.0° |
| C3 | C5 | C6 | H3 | 109.9° | 179.4° |
| C3 | C5 | C6 | H4 | 10.1° | 59.4° |
| C3 | C5 | C6 | H5 | 130.0° | 60.6° |
| C3 | C5 | C7 | H6 | 31.7° | 60.6° |
| C3 | C5 | C7 | H7 | 88.2° | 59.4° |
| C3 | C5 | C7 | H8 | 151.8° | 179.4° |
| C5 | C3 | C2 | H26 | 56.0° | 79.4° |
| C7 | C5 | C4 | H2 | 2.0° | 4.2° |
| C7 | C5 | C6 | H3 | 36.3° | 34.0° |
| C7 | C5 | C6 | H4 | 156.3° | 86.0° |
| C7 | C5 | C6 | H5 | 83.7° | 154.1° |
| C5 | C7 | H6 | H7 | 120.0° | 120.1° |
| C5 | C7 | H6 | H8 | 120.1° | 120.0° |
| C5 | C7 | H7 | H8 | 120.0° | 120.0° |
| C7 | C5 | C3 | H28 | 0.5° | 4.2° |
| N3 | C17 | C18 | H15 | 116.0° | 120.0° |
| N3 | C17 | C18 | O5 | 39.0° | 60.0° |
| N3 | C17 | C18 | C19 | 157.7° | 60.0° |
| N3 | C17 | C18 | H37 | 84.2° | 180.0° |
| N3 | C17 | C25 | H41 | 177.3° | 56.6° |
| N3 | C17 | C25 | H42 | 58.5° | 63.4° |
| C17 | C18 | O5 | C19 | 115.6° | 120.0° |
| C17 | C18 | O5 | H37 | 122.2° | 120.0° |
| C17 | C18 | C19 | H37 | 117.8° | 120.0° |
| C17 | C18 | C19 | O4 | 78.8° | 115.0° |
| C17 | C18 | C19 | N4 | 95.8° | 65.0° |
| C18 | C17 | N3 | H1 | 68.5° | 29.2° |
| C17 | C18 | O5 | H30 | 180.0° | 60.0° |
| C18 | C17 | C25 | H41 | 57.4° | 176.6° |
| C18 | C17 | C25 | H42 | 61.5° | 56.6° |
| O5 | C18 | C19 | H37 | 123.0° | 120.0° |
| O5 | C18 | C19 | O4 | 161.9° | 5.0° |
| O5 | C18 | C19 | N4 | 23.4° | 175.0° |
| O5 | C18 | C17 | H15 | 77.0° | 180.0° |
| C18 | C19 | O4 | N4 | 174.5° | 180.0° |
| C18 | C19 | N4 | C20 | 6.6° | 180.0° |
| C18 | C19 | N4 | C24 | 168.4° | 0.1° |
| C19 | C18 | C17 | H15 | 41.7° | 60.0° |
| C19 | C18 | O5 | H30 | 64.4° | 60.0° |
| C22 | C21 | C20 | N4 | 108.0° | 90.7° |
| C22 | C21 | C24 | N4 | 106.5° | 90.8° |
| C22 | C21 | C20 | C24 | 117.3° | 114.4° |
| C22 | C21 | C20 | C23 | 129.4° | 131.3° |
| C22 | C21 | C24 | C23 | 127.6° | 131.3° |
| C22 | C21 | C20 | H16 | 136.0° | 23.6° |
| C22 | C21 | C20 | H17 | 8.1° | 154.8° |
| C21 | C22 | H18 | H19 | 120.0° | 120.1° |
| C21 | C22 | H18 | H20 | 120.0° | 119.9° |
| C21 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | C21 | C24 | H21 | 9.6° | 155.0° |
| C22 | C21 | C24 | H22 | 137.4° | 23.6° |
| C22 | C21 | C23 | H38 | 180.0° | 71.7° |
| C22 | C21 | C23 | H39 | 60.0° | 48.3° |
| C22 | C21 | C23 | H40 | 60.0° | 168.3° |
| O4 | C19 | N4 | C20 | 179.1° | 0.0° |
| O4 | C19 | N4 | C24 | 6.0° | 180.0° |
| O4 | C19 | C18 | H37 | 39.0° | 125.0° |
| C19 | N4 | C20 | C24 | 176.2° | 179.9° |
| C19 | N4 | C20 | C21 | 166.5° | 155.4° |
| C19 | N4 | C24 | C21 | 166.6° | 155.4° |
| C19 | N4 | C20 | H16 | 77.5° | 41.1° |
| C19 | N4 | C20 | H17 | 50.4° | 90.3° |
| C19 | N4 | C24 | H21 | 50.5° | 90.3° |
| C19 | N4 | C24 | H22 | 77.3° | 41.1° |
| N4 | C19 | C18 | H37 | 146.4° | 55.0° |
| N4 | C20 | C21 | H16 | 116.0° | 114.3° |
| N4 | C20 | C21 | H17 | 116.1° | 114.5° |
| C20 | N4 | C24 | C21 | 9.8° | 24.7° |
| N4 | C20 | C21 | C23 | 122.6° | 137.9° |
| N4 | C20 | H16 | H17 | 130.5° | 131.9° |
| C20 | N4 | C24 | H21 | 125.9° | 89.6° |
| C20 | N4 | C24 | H22 | 106.3° | 138.9° |
| N4 | C24 | C21 | H21 | 116.1° | 114.3° |
| N4 | C24 | C21 | H22 | 116.1° | 114.3° |
| N4 | C24 | C21 | C23 | 125.8° | 138.0° |
| C24 | N4 | C20 | H16 | 106.3° | 139.0° |
| C24 | N4 | C20 | H17 | 125.8° | 89.6° |
| N4 | C24 | H21 | H22 | 130.3° | 131.8° |
| C20 | C21 | C24 | C23 | 116.5° | 114.3° |
| C21 | C20 | H16 | H17 | 130.5° | 131.6° |
| C20 | C21 | C22 | H18 | 180.0° | 60.0° |
| C20 | C21 | C22 | H19 | 60.0° | 180.0° |
| C20 | C21 | C22 | H20 | 60.0° | 60.0° |
| C20 | C21 | C24 | H21 | 125.4° | 90.6° |
| C20 | C21 | C24 | H22 | 106.8° | 138.0° |
| C20 | C21 | C23 | H38 | 49.2° | 60.0° |
| C20 | C21 | C23 | H39 | 70.8° | 180.0° |
| C20 | C21 | C23 | H40 | 169.2° | 60.0° |
| C24 | C21 | C20 | H16 | 106.7° | 137.9° |
| C24 | C21 | C20 | H17 | 125.4° | 90.8° |
| C24 | C21 | C22 | H18 | 79.5° | 36.7° |
| C24 | C21 | C22 | H19 | 160.5° | 83.3° |
| C24 | C21 | C22 | H20 | 40.5° | 156.7° |
| C21 | C24 | H21 | H22 | 130.3° | 131.8° |
| C24 | C21 | C23 | H38 | 50.0° | 156.6° |
| C24 | C21 | C23 | H39 | 170.0° | 83.3° |
| C24 | C21 | C23 | H40 | 70.1° | 36.7° |
| C23 | C21 | C20 | H16 | 6.6° | 107.8° |
| C23 | C21 | C20 | H17 | 121.3° | 23.5° |
| C23 | C21 | C22 | H18 | 48.5° | 168.3° |
| C23 | C21 | C22 | H19 | 71.5° | 48.3° |
| C23 | C21 | C22 | H20 | 168.5° | 71.7° |
| C23 | C21 | C24 | H21 | 118.0° | 23.7° |
| C23 | C21 | C24 | H22 | 9.7° | 107.7° |
| C21 | C23 | H38 | H39 | 120.0° | 120.0° |
| C21 | C23 | H38 | H40 | 120.0° | 119.9° |
| C21 | C23 | H39 | H40 | 120.0° | 120.0° |
| H1 | N3 | C17 | H15 | 176.3° | 149.2° |
| H2 | C4 | C8 | H9 | 94.7° | 77.7° |
| H2 | C4 | C8 | H10 | 26.9° | 44.8° |
| H2 | C4 | C3 | H28 | 1.0° | 0.1° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 119.9° |
| H11 | C10 | N2 | H27 | 177.5° | 145.0° |
| H12 | C13 | H13 | H14 | 120.0° | 119.9° |
| H15 | C17 | C18 | H37 | 159.8° | 60.0° |
| H15 | C17 | C25 | H41 | 64.5° | 63.4° |
| H15 | C17 | C25 | H42 | 176.7° | 176.6° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H23 | C26 | C25 | H41 | 179.5° | 171.5° |
| H23 | C26 | C25 | H42 | 61.7° | 68.5° |
| H23 | C26 | C27 | H43 | 41.4° | 169.2° |
| H23 | C26 | C27 | H44 | 160.4° | 48.6° |
| H24 | C28 | C27 | H43 | 59.2° | 67.6° |
| H24 | C28 | C27 | H44 | 178.3° | 53.0° |
| H24 | C28 | C29 | H45 | 169.5° | 50.2° |
| H24 | C28 | C29 | H46 | 50.1° | 69.2° |
| H25 | C28 | C27 | H43 | 60.9° | 172.1° |
| H25 | C28 | C27 | H44 | 58.1° | 67.3° |
| H25 | C28 | C29 | H45 | 49.3° | 170.6° |
| H25 | C28 | C29 | H46 | 70.1° | 51.2° |
| H26 | C2 | C3 | H28 | 99.0° | 77.6° |
| H29 | N5 | C29 | H45 | 83.3° | 78.7° |
| H29 | N5 | C29 | H46 | 36.1° | 40.6° |
| H30 | O5 | C18 | H37 | 57.8° | 180.0° |
| H31 | C12 | H32 | H33 | 120.0° | 119.9° |
| H34 | C14 | H35 | H36 | 120.0° | 120.0° |
| H38 | C23 | H39 | H40 | 120.0° | 120.0° |
