T4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C10 | sing | 1.53Å | 1.56Å | |
| C21 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C12 | sing | 1.57Å | 1.54Å | |
| C10 | C24 | sing | 1.57Å | 1.54Å | |
| C25 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C22 | sing | 1.56Å | 1.55Å | |
| C12 | C11 | sing | 1.56Å | 1.55Å | |
| C24 | C23 | sing | 1.56Å | 1.55Å | |
| C24 | C16 | sing | 1.56Å | 1.54Å | |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C22 | N1 | sing | 1.46Å | 1.48Å | |
| O1 | C9 | doub | 1.21Å | 1.24Å | |
| C11 | C16 | sing | 1.55Å | 1.54Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| O3 | S1 | doub | 1.42Å | 1.49Å | |
| O4 | C15 | doub | 1.21Å | 1.25Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| N2 | S1 | sing | 1.66Å | 1.64Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| S1 | O2 | doub | 1.42Å | 1.50Å | |
| S1 | N3 | sing | 1.66Å | 1.63Å | |
| O5 | C15 | sing | 1.34Å | 1.25Å | |
| C7 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N3 | C14 | sing | 1.47Å | 1.48Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| N4 | C20 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | 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 | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| N1 | H32 | sing | 0.97Å | 1.00Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å | |
| N3 | H40 | sing | 0.97Å | 1.00Å | |
| C17 | H41 | sing | 1.09Å | 1.10Å | |
| C17 | H42 | sing | 1.09Å | 1.10Å | |
| C18 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| N4 | H45 | sing | 1.01Å | 1.00Å | |
| N4 | H46 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C10 | C21 | 108.3° | 111.8° |
| C13 | C10 | C12 | 113.9° | 112.1° |
| C13 | C10 | C24 | 114.8° | 112.0° |
| C10 | C13 | H12 | 109.5° | 109.4° |
| C10 | C13 | H13 | 109.5° | 109.5° |
| C10 | C13 | H14 | 109.5° | 109.5° |
| C21 | C10 | C12 | 114.1° | 112.0° |
| C21 | C10 | C24 | 111.8° | 112.0° |
| C10 | C21 | H22 | 109.5° | 109.4° |
| C10 | C21 | H23 | 109.5° | 109.4° |
| C10 | C21 | H24 | 109.4° | 109.5° |
| C12 | C10 | C24 | 93.5° | 96.1° |
| C10 | C12 | C25 | 117.4° | 116.2° |
| C10 | C12 | C22 | 100.6° | 100.6° |
| C10 | C12 | C11 | 100.1° | 100.7° |
| C10 | C24 | C23 | 103.1° | 100.6° |
| C10 | C24 | C16 | 103.2° | 100.7° |
| C10 | C24 | H26 | 114.8° | 116.2° |
| C25 | C12 | C22 | 113.9° | 115.9° |
| C25 | C12 | C11 | 112.0° | 116.6° |
| C12 | C25 | H27 | 109.5° | 109.4° |
| C12 | C25 | H28 | 109.5° | 109.4° |
| C12 | C25 | H29 | 109.5° | 109.5° |
| C22 | C12 | C11 | 111.6° | 104.5° |
| C12 | C22 | C23 | 102.6° | 104.6° |
| C12 | C22 | N1 | 111.4° | 110.4° |
| C12 | C22 | H25 | 110.1° | 110.4° |
| C12 | C11 | C16 | 104.0° | 104.6° |
| C12 | C11 | H10 | 110.8° | 110.4° |
| C12 | C11 | H11 | 110.8° | 110.5° |
| C23 | C24 | C16 | 104.9° | 104.5° |
| C24 | C23 | C22 | 103.1° | 104.7° |
| C23 | C24 | H26 | 114.7° | 115.9° |
| C24 | C23 | H30 | 111.0° | 110.4° |
| C24 | C23 | H31 | 111.0° | 110.4° |
| C24 | C16 | C11 | 102.3° | 104.6° |
| C24 | C16 | H16 | 111.2° | 110.4° |
| C24 | C16 | H17 | 111.2° | 110.5° |
| C16 | C24 | H26 | 114.7° | 116.6° |
| C23 | C22 | N1 | 111.2° | 110.4° |
| C23 | C22 | H25 | 110.1° | 110.4° |
| C22 | C23 | H30 | 111.0° | 110.4° |
| C22 | C23 | H31 | 111.1° | 110.4° |
| C22 | N1 | C9 | 122.6° | 120.0° |
| N1 | C22 | H25 | 111.1° | 110.5° |
| C22 | N1 | H32 | 118.7° | 120.0° |
| O1 | C9 | N1 | 125.6° | 120.0° |
| O1 | C9 | C8 | 120.4° | 120.0° |
| C16 | C11 | H10 | 110.8° | 110.4° |
| C16 | C11 | H11 | 110.8° | 110.4° |
| C11 | C16 | H16 | 111.2° | 110.4° |
| C11 | C16 | H17 | 111.3° | 110.4° |
| N1 | C9 | C8 | 113.9° | 120.0° |
| C9 | N1 | H32 | 118.7° | 120.0° |
| C9 | C8 | N2 | 108.9° | 109.5° |
| C9 | C8 | C7 | 109.9° | 109.4° |
| C9 | C8 | H9 | 110.3° | 109.5° |
| O3 | S1 | N2 | 111.3° | 106.4° |
| O3 | S1 | O2 | 111.3° | 123.2° |
| O3 | S1 | N3 | 109.3° | 106.4° |
| O4 | C15 | O5 | 125.2° | 120.0° |
| O4 | C15 | C14 | 116.6° | 120.0° |
| C8 | N2 | S1 | 119.9° | 120.0° |
| N2 | C8 | C7 | 106.4° | 109.5° |
| N2 | C8 | H9 | 111.2° | 109.5° |
| C8 | N2 | H39 | 106.8° | 120.0° |
| N2 | S1 | O2 | 105.1° | 106.4° |
| N2 | S1 | N3 | 107.0° | 107.2° |
| S1 | N2 | H39 | 106.8° | 120.0° |
| C8 | C7 | C1 | 111.8° | 109.5° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C8 | C7 | H8 | 108.9° | 109.4° |
| C7 | C8 | H9 | 110.0° | 109.5° |
| O2 | S1 | N3 | 112.8° | 106.4° |
| S1 | N3 | C14 | 112.3° | 120.0° |
| S1 | N3 | H40 | 108.7° | 120.0° |
| O5 | C15 | C14 | 118.1° | 120.0° |
| C15 | O5 | H6 | 109.5° | 117.0° |
| C7 | C1 | C6 | 109.4° | 109.5° |
| C7 | C1 | C2 | 109.6° | 109.5° |
| C7 | C1 | H1 | 108.8° | 109.4° |
| C1 | C7 | H7 | 108.9° | 109.5° |
| C1 | C7 | H8 | 108.9° | 109.4° |
| C6 | C1 | C2 | 111.4° | 109.5° |
| C1 | C6 | C5 | 111.9° | 109.5° |
| C6 | C1 | H1 | 108.8° | 109.4° |
| C1 | C6 | H37 | 108.9° | 109.4° |
| C1 | C6 | H38 | 108.9° | 109.5° |
| C1 | C2 | C3 | 111.6° | 109.5° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.4° |
| C1 | C2 | H3 | 108.9° | 109.5° |
| C6 | C5 | C4 | 111.5° | 109.5° |
| C6 | C5 | H35 | 109.0° | 109.5° |
| C6 | C5 | H36 | 109.0° | 109.5° |
| C5 | C6 | H37 | 108.8° | 109.5° |
| C5 | C6 | H38 | 108.9° | 109.5° |
| C15 | C14 | N3 | 111.7° | 109.5° |
| C15 | C14 | C17 | 109.4° | 109.5° |
| C15 | C14 | H15 | 108.7° | 109.4° |
| C5 | C4 | C3 | 113.9° | 109.5° |
| C5 | C4 | H33 | 108.4° | 109.5° |
| C5 | C4 | H34 | 108.4° | 109.5° |
| C4 | C5 | H35 | 109.0° | 109.5° |
| C4 | C5 | H36 | 109.0° | 109.5° |
| N3 | C14 | C17 | 108.7° | 109.5° |
| N3 | C14 | H15 | 109.4° | 109.5° |
| C14 | N3 | H40 | 108.7° | 120.0° |
| C14 | C17 | C18 | 111.6° | 109.4° |
| C17 | C14 | H15 | 109.0° | 109.5° |
| C14 | C17 | H41 | 108.9° | 109.5° |
| C14 | C17 | H42 | 108.9° | 109.5° |
| C2 | C3 | C4 | 111.0° | 109.5° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C3 | C2 | H3 | 108.9° | 109.5° |
| C2 | C3 | H4 | 109.1° | 109.5° |
| C2 | C3 | H5 | 109.1° | 109.5° |
| C4 | C3 | H4 | 109.1° | 109.4° |
| C4 | C3 | H5 | 109.1° | 109.5° |
| C3 | C4 | H33 | 108.3° | 109.4° |
| C3 | C4 | H34 | 108.4° | 109.5° |
| C17 | C18 | C19 | 111.6° | 109.5° |
| C18 | C17 | H41 | 108.9° | 109.5° |
| C18 | C17 | H42 | 108.9° | 109.5° |
| C17 | C18 | H43 | 108.9° | 109.5° |
| C17 | C18 | H44 | 108.9° | 109.5° |
| C18 | C19 | C20 | 111.6° | 109.5° |
| C18 | C19 | H18 | 108.9° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.5° |
| C19 | C18 | H43 | 108.9° | 109.4° |
| C19 | C18 | H44 | 108.9° | 109.5° |
| N4 | C20 | C19 | 111.1° | 109.5° |
| N4 | C20 | H20 | 109.1° | 109.5° |
| N4 | C20 | H21 | 109.1° | 109.5° |
| C20 | N4 | H45 | 109.5° | 111.1° |
| C20 | N4 | H46 | 109.4° | 110.9° |
| C20 | C19 | H18 | 109.0° | 109.4° |
| C20 | C19 | H19 | 109.0° | 109.4° |
| C19 | C20 | H20 | 109.1° | 109.4° |
| C19 | C20 | H21 | 109.1° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 110.3° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.4° | 109.5° |
| H16 | C16 | H17 | 109.5° | 110.3° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| H27 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 110.4° |
| H33 | C4 | H34 | 109.5° | 109.5° |
| H35 | C5 | H36 | 109.5° | 109.4° |
| H37 | C6 | H38 | 109.5° | 109.4° |
| H41 | C17 | H42 | 109.5° | 109.5° |
| H43 | C18 | H44 | 109.5° | 109.4° |
| H45 | N4 | H46 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C10 | C21 | C12 | 128.0° | 126.7° |
| C13 | C10 | C21 | C24 | 127.4° | 126.7° |
| C13 | C10 | C12 | C24 | 119.1° | 116.8° |
| C13 | C10 | C12 | C25 | 62.7° | 62.8° |
| C13 | C10 | C12 | C22 | 61.5° | 63.2° |
| C13 | C10 | C12 | C11 | 175.9° | 170.3° |
| C13 | C10 | C24 | C23 | 64.3° | 63.2° |
| C13 | C10 | C24 | C16 | 173.3° | 170.3° |
| C10 | C13 | H12 | H13 | 120.0° | 120.0° |
| C10 | C13 | H12 | H14 | 120.0° | 120.0° |
| C10 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C10 | C21 | H22 | 180.0° | 66.7° |
| C13 | C10 | C21 | H23 | 60.0° | 53.3° |
| C13 | C10 | C21 | H24 | 60.0° | 173.4° |
| C13 | C10 | C24 | H26 | 61.1° | 62.8° |
| C21 | C10 | C12 | C24 | 115.9° | 116.7° |
| C21 | C10 | C12 | C25 | 62.3° | 63.7° |
| C21 | C10 | C12 | C22 | 173.5° | 170.3° |
| C21 | C10 | C12 | C11 | 59.1° | 63.2° |
| C21 | C10 | C24 | C23 | 171.9° | 170.3° |
| C21 | C10 | C24 | C16 | 62.9° | 63.2° |
| C21 | C10 | C13 | H12 | 180.0° | 173.4° |
| C21 | C10 | C13 | H13 | 60.0° | 53.3° |
| C21 | C10 | C13 | H14 | 60.0° | 66.7° |
| C10 | C21 | H22 | H23 | 120.0° | 120.0° |
| C10 | C21 | H22 | H24 | 120.0° | 120.0° |
| C10 | C21 | H23 | H24 | 120.0° | 120.0° |
| C21 | C10 | C24 | H26 | 62.7° | 63.7° |
| C10 | C12 | C25 | C22 | 117.2° | 117.9° |
| C10 | C12 | C25 | C11 | 115.0° | 118.5° |
| C10 | C12 | C22 | C11 | 105.4° | 104.1° |
| C12 | C10 | C24 | C23 | 54.1° | 53.6° |
| C12 | C10 | C24 | C16 | 54.9° | 53.5° |
| C10 | C12 | C22 | C23 | 40.8° | 33.8° |
| C10 | C12 | C22 | N1 | 159.8° | 152.6° |
| C10 | C12 | C11 | C16 | 39.6° | 33.8° |
| C10 | C12 | C11 | H10 | 158.7° | 152.6° |
| C10 | C12 | C11 | H11 | 79.5° | 85.1° |
| C12 | C10 | C13 | H12 | 51.9° | 60.0° |
| C12 | C10 | C13 | H13 | 171.9° | 180.0° |
| C12 | C10 | C13 | H14 | 68.1° | 59.9° |
| C12 | C10 | C21 | H22 | 52.0° | 60.0° |
| C12 | C10 | C21 | H23 | 68.0° | 180.0° |
| C12 | C10 | C21 | H24 | 172.0° | 59.9° |
| C10 | C12 | C22 | H25 | 76.4° | 85.0° |
| C12 | C10 | C24 | H26 | 179.6° | 179.6° |
| C10 | C12 | C25 | H27 | 180.0° | 60.1° |
| C10 | C12 | C25 | H28 | 60.0° | 180.0° |
| C10 | C12 | C25 | H29 | 60.0° | 59.9° |
| C24 | C10 | C12 | C25 | 178.2° | 179.6° |
| C24 | C10 | C12 | C22 | 57.6° | 53.6° |
| C24 | C10 | C12 | C11 | 56.8° | 53.5° |
| C10 | C24 | C23 | C16 | 107.7° | 104.1° |
| C10 | C24 | C23 | H26 | 125.5° | 126.2° |
| C10 | C24 | C16 | H26 | 125.6° | 126.6° |
| C10 | C24 | C23 | C22 | 30.3° | 33.8° |
| C10 | C24 | C16 | C11 | 31.7° | 33.8° |
| C24 | C10 | C13 | H12 | 54.3° | 46.7° |
| C24 | C10 | C13 | H13 | 65.7° | 73.3° |
| C24 | C10 | C13 | H14 | 174.3° | 166.6° |
| C10 | C24 | C16 | H16 | 87.2° | 152.6° |
| C10 | C24 | C16 | H17 | 150.5° | 85.1° |
| C24 | C10 | C21 | H22 | 52.6° | 166.6° |
| C24 | C10 | C21 | H23 | 172.6° | 73.4° |
| C24 | C10 | C21 | H24 | 67.4° | 46.7° |
| C10 | C24 | C23 | H30 | 149.3° | 85.0° |
| C10 | C24 | C23 | H31 | 88.7° | 152.6° |
| C25 | C12 | C22 | C11 | 128.0° | 129.7° |
| C25 | C12 | C22 | C23 | 167.4° | 160.0° |
| C25 | C12 | C22 | N1 | 73.6° | 81.2° |
| C25 | C12 | C11 | C16 | 164.8° | 160.4° |
| C25 | C12 | C11 | H10 | 76.1° | 80.8° |
| C25 | C12 | C11 | H11 | 45.7° | 41.6° |
| C25 | C12 | C22 | H25 | 50.1° | 41.2° |
| C12 | C25 | H27 | H28 | 120.0° | 119.9° |
| C12 | C25 | H27 | H29 | 120.0° | 120.0° |
| C12 | C25 | H28 | H29 | 120.0° | 120.1° |
| C12 | C22 | C23 | C24 | 6.4° | 0.0° |
| C12 | C22 | C23 | N1 | 119.2° | 118.7° |
| C12 | C22 | C23 | H25 | 117.2° | 118.8° |
| C12 | C22 | N1 | H25 | 123.1° | 122.4° |
| C22 | C12 | C11 | C16 | 66.2° | 70.3° |
| C12 | C22 | N1 | C9 | 95.8° | 85.3° |
| C22 | C12 | C11 | H10 | 53.0° | 48.5° |
| C22 | C12 | C11 | H11 | 174.7° | 170.9° |
| C22 | C12 | C25 | H27 | 62.8° | 178.0° |
| C22 | C12 | C25 | H28 | 57.2° | 62.1° |
| C22 | C12 | C25 | H29 | 177.2° | 57.9° |
| C12 | C22 | C23 | H30 | 112.6° | 118.8° |
| C12 | C22 | C23 | H31 | 125.4° | 118.8° |
| C12 | C22 | N1 | H32 | 84.2° | 94.8° |
| C12 | C11 | C16 | C24 | 4.9° | 0.0° |
| C11 | C12 | C22 | C23 | 64.6° | 70.3° |
| C11 | C12 | C22 | N1 | 54.4° | 48.5° |
| C12 | C11 | C16 | H10 | 119.1° | 118.8° |
| C12 | C11 | C16 | H11 | 119.1° | 118.9° |
| C12 | C11 | H10 | H11 | 122.5° | 122.5° |
| C12 | C11 | C16 | H16 | 123.8° | 118.8° |
| C12 | C11 | C16 | H17 | 113.9° | 118.9° |
| C11 | C12 | C22 | H25 | 178.2° | 170.9° |
| C11 | C12 | C25 | H27 | 65.0° | 58.4° |
| C11 | C12 | C25 | H28 | 175.0° | 61.5° |
| C11 | C12 | C25 | H29 | 55.0° | 178.5° |
| C23 | C24 | C16 | H26 | 126.8° | 129.3° |
| C24 | C23 | C22 | H30 | 119.0° | 118.8° |
| C24 | C23 | C22 | H31 | 119.0° | 118.8° |
| C24 | C23 | C22 | N1 | 125.5° | 118.8° |
| C23 | C24 | C16 | C11 | 76.0° | 70.3° |
| C23 | C24 | C16 | H16 | 165.2° | 48.5° |
| C23 | C24 | C16 | H17 | 42.9° | 170.9° |
| C24 | C23 | C22 | H25 | 110.8° | 118.8° |
| C24 | C23 | H30 | H31 | 122.9° | 122.4° |
| C16 | C24 | C23 | C22 | 77.4° | 70.3° |
| C24 | C16 | C11 | H16 | 118.8° | 118.8° |
| C24 | C16 | C11 | H17 | 118.8° | 118.9° |
| C24 | C16 | C11 | H10 | 124.1° | 118.8° |
| C24 | C16 | C11 | H11 | 114.2° | 118.9° |
| C24 | C16 | H16 | H17 | 123.3° | 122.5° |
| C16 | C24 | C23 | H30 | 41.6° | 170.9° |
| C16 | C24 | C23 | H31 | 163.6° | 48.5° |
| C23 | C22 | N1 | H25 | 123.1° | 122.4° |
| C23 | C22 | N1 | C9 | 150.4° | 159.5° |
| C22 | C23 | C24 | H26 | 155.8° | 160.0° |
| C22 | C23 | H30 | H31 | 123.0° | 122.4° |
| C23 | C22 | N1 | H32 | 29.6° | 20.4° |
| C22 | N1 | C9 | O1 | 0.5° | 5.9° |
| C22 | N1 | C9 | H32 | 180.0° | 179.9° |
| C22 | N1 | C9 | C8 | 179.7° | 174.1° |
| N1 | C22 | C23 | H30 | 6.6° | 122.4° |
| N1 | C22 | C23 | H31 | 115.5° | 0.1° |
| O1 | C9 | N1 | C8 | 179.2° | 179.9° |
| O1 | C9 | C8 | N2 | 53.5° | 15.8° |
| O1 | C9 | C8 | C7 | 62.7° | 104.2° |
| O1 | C9 | C8 | H9 | 175.9° | 135.8° |
| O1 | C9 | N1 | H32 | 179.5° | 174.2° |
| C16 | C11 | H10 | H11 | 122.6° | 122.3° |
| C11 | C16 | H16 | H17 | 123.4° | 122.3° |
| C11 | C16 | C24 | H26 | 157.2° | 160.4° |
| N1 | C9 | C8 | N2 | 127.2° | 164.3° |
| N1 | C9 | C8 | C7 | 116.6° | 75.8° |
| N1 | C9 | C8 | H9 | 4.8° | 44.2° |
| C9 | N1 | C22 | H25 | 27.3° | 37.1° |
| C9 | C8 | N2 | C7 | 118.4° | 119.9° |
| C9 | C8 | N2 | H9 | 121.8° | 120.1° |
| C9 | C8 | N2 | S1 | 77.7° | 145.4° |
| C9 | C8 | C7 | H9 | 121.6° | 120.0° |
| C9 | C8 | C7 | C1 | 64.1° | 66.4° |
| C9 | C8 | C7 | H7 | 175.6° | 53.7° |
| C9 | C8 | C7 | H8 | 56.3° | 173.6° |
| C8 | C9 | N1 | H32 | 0.3° | 5.8° |
| C9 | C8 | N2 | H39 | 43.8° | 34.6° |
| O3 | S1 | N2 | C8 | 67.8° | 46.2° |
| O3 | S1 | N2 | O2 | 120.6° | 132.9° |
| O3 | S1 | N2 | N3 | 119.3° | 113.5° |
| O3 | S1 | O2 | N3 | 123.2° | 123.0° |
| O3 | S1 | N3 | C14 | 56.0° | 178.5° |
| O3 | S1 | N2 | H39 | 53.6° | 133.8° |
| O3 | S1 | N3 | H40 | 176.4° | 1.5° |
| O4 | C15 | O5 | C14 | 178.9° | 180.0° |
| O4 | C15 | C14 | N3 | 134.2° | 0.0° |
| O4 | C15 | C14 | C17 | 105.5° | 120.0° |
| O4 | C15 | O5 | H6 | 0.0° | 0.0° |
| O4 | C15 | C14 | H15 | 13.4° | 120.0° |
| C8 | N2 | S1 | H39 | 121.5° | 180.0° |
| N2 | C8 | C7 | H9 | 120.6° | 120.0° |
| C8 | N2 | S1 | O2 | 171.6° | 179.1° |
| C8 | N2 | S1 | N3 | 51.5° | 67.3° |
| N2 | C8 | C7 | C1 | 178.1° | 173.6° |
| N2 | C8 | C7 | H7 | 57.8° | 66.3° |
| N2 | C8 | C7 | H8 | 61.5° | 53.7° |
| S1 | N2 | C8 | C7 | 163.9° | 94.6° |
| N2 | S1 | O2 | N3 | 116.2° | 114.1° |
| N2 | S1 | N3 | C14 | 176.6° | 65.0° |
| S1 | N2 | C8 | H9 | 44.1° | 25.4° |
| N2 | S1 | N3 | H40 | 63.0° | 115.0° |
| C8 | C7 | C1 | H7 | 120.3° | 120.1° |
| C8 | C7 | C1 | H8 | 120.3° | 119.9° |
| C8 | C7 | C1 | C6 | 168.9° | 173.2° |
| C8 | C7 | C1 | C2 | 68.7° | 66.7° |
| C8 | C7 | C1 | H1 | 50.2° | 53.4° |
| C8 | C7 | H7 | H8 | 118.9° | 120.0° |
| C7 | C8 | N2 | H39 | 74.7° | 85.3° |
| O2 | S1 | N3 | C14 | 68.4° | 48.6° |
| O2 | S1 | N2 | H39 | 67.0° | 0.8° |
| O2 | S1 | N3 | H40 | 52.0° | 131.4° |
| S1 | N3 | C14 | C15 | 73.5° | 95.0° |
| S1 | N3 | C14 | H40 | 120.4° | 180.0° |
| S1 | N3 | C14 | C17 | 165.7° | 145.0° |
| S1 | N3 | C14 | H15 | 46.9° | 25.0° |
| N3 | S1 | N2 | H39 | 173.0° | 112.7° |
| O5 | C15 | C14 | N3 | 46.8° | 180.0° |
| O5 | C15 | C14 | C17 | 73.5° | 60.0° |
| O5 | C15 | C14 | H15 | 167.6° | 60.0° |
| C7 | C1 | C6 | C2 | 121.3° | 120.1° |
| C7 | C1 | C6 | H1 | 118.7° | 119.9° |
| C7 | C1 | C2 | H1 | 118.8° | 120.0° |
| C7 | C1 | C6 | C5 | 176.3° | 180.0° |
| C7 | C1 | C2 | C3 | 177.3° | 180.0° |
| C7 | C1 | C2 | H2 | 62.4° | 60.0° |
| C7 | C1 | C2 | H3 | 56.9° | 60.0° |
| C1 | C7 | H7 | H8 | 119.0° | 120.0° |
| C1 | C7 | C8 | H9 | 57.5° | 53.6° |
| C7 | C1 | C6 | H37 | 56.0° | 60.0° |
| C7 | C1 | C6 | H38 | 63.3° | 59.9° |
| C6 | C1 | C2 | H1 | 120.0° | 119.9° |
| C1 | C6 | C5 | H37 | 120.4° | 119.9° |
| C1 | C6 | C5 | H38 | 120.4° | 120.1° |
| C1 | C6 | C5 | C4 | 52.3° | 59.9° |
| C6 | C1 | C2 | C3 | 56.1° | 60.0° |
| C6 | C1 | C2 | H2 | 176.4° | 179.9° |
| C6 | C1 | C2 | H3 | 64.3° | 60.0° |
| C6 | C1 | C7 | H7 | 70.7° | 53.1° |
| C6 | C1 | C7 | H8 | 48.6° | 66.8° |
| C1 | C6 | C5 | H35 | 172.6° | 60.1° |
| C1 | C6 | C5 | H36 | 68.1° | 180.0° |
| C1 | C6 | H37 | H38 | 118.9° | 120.0° |
| C2 | C1 | C6 | C5 | 55.0° | 59.9° |
| C1 | C2 | C3 | H2 | 120.3° | 119.9° |
| C1 | C2 | C3 | H3 | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 54.1° | 60.0° |
| C1 | C2 | H2 | H3 | 119.0° | 120.0° |
| C1 | C2 | C3 | H4 | 66.2° | 60.0° |
| C1 | C2 | C3 | H5 | 174.3° | 180.0° |
| C2 | C1 | C7 | H7 | 51.6° | 173.2° |
| C2 | C1 | C7 | H8 | 171.0° | 53.2° |
| C2 | C1 | C6 | H37 | 65.3° | 60.0° |
| C2 | C1 | C6 | H38 | 175.4° | 179.9° |
| C6 | C5 | C4 | H35 | 120.3° | 120.0° |
| C6 | C5 | C4 | H36 | 120.3° | 120.1° |
| C6 | C5 | C4 | C3 | 51.5° | 60.0° |
| C5 | C6 | C1 | H1 | 65.0° | 60.1° |
| C6 | C5 | C4 | H33 | 69.1° | 179.9° |
| C6 | C5 | C4 | H34 | 172.2° | 60.0° |
| C6 | C5 | H35 | H36 | 119.1° | 120.0° |
| C5 | C6 | H37 | H38 | 118.9° | 120.0° |
| C15 | C14 | N3 | C17 | 120.7° | 120.0° |
| C15 | C14 | N3 | H15 | 120.4° | 119.9° |
| C15 | C14 | C17 | H15 | 118.7° | 119.9° |
| C15 | C14 | C17 | C18 | 52.4° | 175.0° |
| C14 | C15 | O5 | H6 | 178.9° | 180.0° |
| C15 | C14 | N3 | H40 | 166.0° | 85.0° |
| C15 | C14 | C17 | H41 | 172.7° | 65.1° |
| C15 | C14 | C17 | H42 | 67.9° | 55.0° |
| C5 | C4 | C3 | C2 | 52.5° | 60.0° |
| C5 | C4 | C3 | H33 | 120.6° | 120.0° |
| C5 | C4 | C3 | H34 | 120.7° | 120.0° |
| C5 | C4 | C3 | H4 | 67.8° | 60.0° |
| C5 | C4 | C3 | H5 | 172.7° | 179.9° |
| C5 | C4 | H33 | H34 | 118.0° | 120.0° |
| C4 | C5 | H35 | H36 | 119.1° | 120.0° |
| C4 | C5 | C6 | H37 | 68.1° | 60.0° |
| C4 | C5 | C6 | H38 | 172.6° | 180.0° |
| N3 | C14 | C17 | H15 | 119.1° | 120.0° |
| N3 | C14 | C17 | C18 | 174.6° | 65.0° |
| N3 | C14 | C17 | H41 | 65.1° | 55.0° |
| N3 | C14 | C17 | H42 | 54.3° | 175.0° |
| C14 | C17 | C18 | H41 | 120.3° | 120.0° |
| C14 | C17 | C18 | H42 | 120.3° | 120.0° |
| C14 | C17 | C18 | C19 | 158.1° | 180.0° |
| C17 | C14 | N3 | H40 | 45.3° | 35.0° |
| C14 | C17 | H41 | H42 | 119.0° | 120.0° |
| C14 | C17 | C18 | H43 | 81.6° | 60.0° |
| C14 | C17 | C18 | H44 | 37.8° | 60.0° |
| C2 | C3 | C4 | H4 | 120.2° | 120.0° |
| C2 | C3 | C4 | H5 | 120.2° | 120.0° |
| C3 | C2 | C1 | H1 | 63.9° | 60.0° |
| C3 | C2 | H2 | H3 | 119.0° | 120.1° |
| C2 | C3 | H4 | H5 | 119.3° | 120.0° |
| C2 | C3 | C4 | H33 | 68.2° | 180.0° |
| C2 | C3 | C4 | H34 | 173.1° | 60.0° |
| C4 | C3 | C2 | H2 | 174.4° | 179.9° |
| C4 | C3 | C2 | H3 | 66.2° | 60.0° |
| C4 | C3 | H4 | H5 | 119.3° | 120.0° |
| C3 | C4 | H33 | H34 | 118.0° | 120.0° |
| C3 | C4 | C5 | H35 | 171.8° | 60.0° |
| C3 | C4 | C5 | H36 | 68.8° | 180.0° |
| C17 | C18 | C19 | H43 | 120.3° | 120.0° |
| C17 | C18 | C19 | H44 | 120.3° | 120.1° |
| C17 | C18 | C19 | C20 | 173.4° | 180.0° |
| C18 | C17 | C14 | H15 | 66.2° | 55.0° |
| C17 | C18 | C19 | H18 | 66.3° | 60.0° |
| C17 | C18 | C19 | H19 | 53.1° | 60.0° |
| C18 | C17 | H41 | H42 | 119.0° | 120.0° |
| C17 | C18 | H43 | H44 | 119.0° | 120.0° |
| C18 | C19 | C20 | N4 | 54.4° | 180.0° |
| C18 | C19 | C20 | H18 | 120.3° | 120.0° |
| C18 | C19 | C20 | H19 | 120.3° | 120.0° |
| C18 | C19 | H18 | H19 | 119.0° | 120.0° |
| C18 | C19 | C20 | H20 | 65.9° | 60.0° |
| C18 | C19 | C20 | H21 | 174.6° | 60.0° |
| C19 | C18 | C17 | H41 | 37.8° | 60.0° |
| C19 | C18 | C17 | H42 | 81.6° | 60.0° |
| C19 | C18 | H43 | H44 | 119.0° | 120.0° |
| N4 | C20 | C19 | H20 | 120.2° | 120.0° |
| N4 | C20 | C19 | H21 | 120.3° | 120.0° |
| N4 | C20 | C19 | H18 | 65.9° | 60.0° |
| N4 | C20 | C19 | H19 | 174.7° | 60.0° |
| N4 | C20 | H20 | H21 | 119.3° | 120.0° |
| C20 | N4 | H45 | H46 | 120.0° | 123.9° |
| C20 | C19 | H18 | H19 | 119.1° | 119.9° |
| C19 | C20 | H20 | H21 | 119.2° | 120.0° |
| C20 | C19 | C18 | H43 | 53.1° | 60.0° |
| C20 | C19 | C18 | H44 | 66.3° | 60.0° |
| C19 | C20 | N4 | H45 | 180.0° | 56.1° |
| C19 | C20 | N4 | H46 | 60.0° | 180.0° |
| H1 | C1 | C2 | H2 | 56.4° | 60.0° |
| H1 | C1 | C2 | H3 | 175.8° | 180.0° |
| H1 | C1 | C7 | H7 | 170.5° | 66.7° |
| H1 | C1 | C7 | H8 | 70.1° | 173.3° |
| H1 | C1 | C6 | H37 | 174.6° | 179.9° |
| H1 | C1 | C6 | H38 | 55.4° | 60.0° |
| H2 | C2 | C3 | H4 | 54.1° | 59.9° |
| H2 | C2 | C3 | H5 | 65.4° | 60.0° |
| H3 | C2 | C3 | H4 | 173.5° | 180.0° |
| H3 | C2 | C3 | H5 | 54.0° | 60.1° |
| H4 | C3 | C4 | H33 | 171.6° | 60.0° |
| H4 | C3 | C4 | H34 | 52.9° | 179.9° |
| H5 | C3 | C4 | H33 | 52.1° | 60.0° |
| H5 | C3 | C4 | H34 | 66.6° | 60.0° |
| H7 | C7 | C8 | H9 | 62.8° | 173.7° |
| H8 | C7 | C8 | H9 | 177.9° | 66.3° |
| H9 | C8 | N2 | H39 | 165.5° | 154.7° |
| H10 | C11 | C16 | H16 | 117.1° | 0.0° |
| H10 | C11 | C16 | H17 | 5.2° | 122.3° |
| H11 | C11 | C16 | H16 | 4.6° | 122.3° |
| H11 | C11 | C16 | H17 | 127.0° | 0.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H15 | C14 | N3 | H40 | 73.6° | 155.0° |
| H15 | C14 | C17 | H41 | 54.1° | 175.0° |
| H15 | C14 | C17 | H42 | 173.4° | 65.0° |
| H16 | C16 | C24 | H26 | 38.4° | 80.8° |
| H17 | C16 | C24 | H26 | 83.9° | 41.6° |
| H18 | C19 | C20 | H20 | 173.8° | 60.0° |
| H18 | C19 | C20 | H21 | 54.3° | 180.0° |
| H18 | C19 | C18 | H43 | 173.4° | 180.0° |
| H18 | C19 | C18 | H44 | 54.0° | 60.0° |
| H19 | C19 | C20 | H20 | 54.4° | 180.0° |
| H19 | C19 | C20 | H21 | 65.1° | 60.0° |
| H19 | C19 | C18 | H43 | 67.2° | 60.0° |
| H19 | C19 | C18 | H44 | 173.4° | 180.0° |
| H20 | C20 | N4 | H45 | 59.8° | 63.9° |
| H20 | C20 | N4 | H46 | 60.2° | 60.0° |
| H21 | C20 | N4 | H45 | 59.7° | 176.1° |
| H21 | C20 | N4 | H46 | 179.7° | 60.0° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H25 | C22 | C23 | H30 | 130.2° | 0.0° |
| H25 | C22 | C23 | H31 | 8.2° | 122.4° |
| H25 | C22 | N1 | H32 | 152.7° | 142.8° |
| H26 | C24 | C23 | H30 | 85.2° | 41.2° |
| H26 | C24 | C23 | H31 | 36.8° | 81.2° |
| H27 | C25 | H28 | H29 | 120.0° | 120.1° |
| H33 | C4 | C5 | H35 | 51.2° | 59.9° |
| H33 | C4 | C5 | H36 | 170.6° | 60.0° |
| H34 | C4 | C5 | H35 | 67.5° | 179.9° |
| H34 | C4 | C5 | H36 | 51.9° | 60.0° |
| H35 | C5 | C6 | H37 | 52.2° | 180.0° |
| H35 | C5 | C6 | H38 | 67.1° | 60.0° |
| H36 | C5 | C6 | H37 | 171.6° | 60.0° |
| H36 | C5 | C6 | H38 | 52.3° | 59.9° |
| H41 | C17 | C18 | H43 | 158.1° | 60.0° |
| H41 | C17 | C18 | H44 | 82.5° | 180.0° |
| H42 | C17 | C18 | H43 | 38.7° | 180.0° |
| H42 | C17 | C18 | H44 | 158.1° | 60.0° |
