SGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | S | doub | 1.42Å | 1.50Å | |
| O9 | S | doub | 1.42Å | 1.50Å | |
| S | O4 | sing | 1.52Å | 1.44Å | |
| S | O8 | sing | 1.52Å | 1.51Å | |
| O4 | C45 | sing | 1.43Å | 1.43Å | |
| O5 | C46 | sing | 1.43Å | 1.43Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C46 | C47 | sing | 1.53Å | 1.54Å | |
| C48 | C47 | sing | 1.53Å | 1.53Å | |
| C48 | O7 | sing | 1.43Å | 1.43Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C47 | O6 | sing | 1.43Å | 1.45Å | |
| C44 | O3 | sing | 1.43Å | 1.43Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| O6 | C43 | sing | 1.43Å | 1.45Å | |
| C43 | O | sing | 1.43Å | 1.42Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | doub | 1.31Å | 1.39Å | |
| C4 | C5 | sing | 1.51Å | 1.39Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| O1 | H31 | sing | 0.97Å | 0.95Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| O3 | H37 | sing | 0.97Å | 0.95Å | |
| C47 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| C48 | H40 | sing | 1.09Å | 1.10Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å | |
| C46 | H42 | sing | 1.09Å | 1.10Å | |
| O5 | H43 | sing | 0.97Å | 0.95Å | |
| C45 | H44 | sing | 1.09Å | 1.10Å | |
| N | H45 | sing | 1.01Å | 1.00Å | |
| N | H46 | sing | 1.01Å | 1.00Å | |
| O8 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | S | O9 | 108.2° | 123.2° |
| O10 | S | O4 | 109.1° | 106.4° |
| O10 | S | O8 | 109.5° | 106.4° |
| O9 | S | O4 | 110.1° | 106.5° |
| O9 | S | O8 | 110.1° | 106.4° |
| O4 | S | O8 | 109.8° | 107.2° |
| S | O4 | C45 | 112.3° | 114.0° |
| S | O8 | H48 | 109.5° | 114.0° |
| O4 | C45 | C46 | 110.4° | 109.5° |
| O4 | C45 | C44 | 109.6° | 109.5° |
| O4 | C45 | H44 | 109.3° | 109.6° |
| O5 | C46 | C45 | 109.6° | 109.5° |
| O5 | C46 | C47 | 109.9° | 109.5° |
| O5 | C46 | H42 | 109.9° | 109.6° |
| C46 | O5 | H43 | 109.5° | 114.0° |
| C45 | C46 | C47 | 110.6° | 109.1° |
| C46 | C45 | C44 | 111.7° | 109.1° |
| C45 | C46 | H42 | 108.4° | 109.5° |
| C46 | C45 | H44 | 107.8° | 109.6° |
| C46 | C47 | C48 | 112.2° | 109.5° |
| C46 | C47 | O6 | 108.7° | 109.4° |
| C46 | C47 | H38 | 108.1° | 109.5° |
| C47 | C46 | H42 | 108.5° | 109.5° |
| C47 | C48 | O7 | 109.5° | 109.5° |
| C48 | C47 | O6 | 110.2° | 109.5° |
| C48 | C47 | H38 | 108.2° | 109.5° |
| C47 | C48 | H39 | 109.4° | 109.5° |
| C47 | C48 | H40 | 109.5° | 109.5° |
| O7 | C48 | H39 | 109.5° | 109.4° |
| O7 | C48 | H40 | 109.5° | 109.4° |
| C48 | O7 | H41 | 109.5° | 114.0° |
| C45 | C44 | O3 | 109.3° | 109.5° |
| C45 | C44 | C43 | 109.0° | 109.1° |
| C45 | C44 | H36 | 109.0° | 109.5° |
| C44 | C45 | H44 | 108.0° | 109.5° |
| C47 | O6 | C43 | 110.4° | 114.1° |
| O6 | C47 | H38 | 109.3° | 109.5° |
| O3 | C44 | C43 | 110.2° | 109.5° |
| O3 | C44 | H36 | 110.4° | 109.5° |
| C44 | O3 | H37 | 109.5° | 114.0° |
| C44 | C43 | O6 | 110.0° | 109.4° |
| C44 | C43 | O | 112.1° | 109.4° |
| C44 | C43 | H35 | 107.8° | 109.5° |
| C43 | C44 | H36 | 109.0° | 109.6° |
| O6 | C43 | O | 108.8° | 109.5° |
| O6 | C43 | H35 | 108.9° | 109.5° |
| C43 | O | C | 107.5° | 114.0° |
| O | C43 | H35 | 109.2° | 109.5° |
| O | C | C1 | 113.6° | 109.4° |
| O | C | H33 | 108.4° | 109.5° |
| O | C | H34 | 108.4° | 109.5° |
| C | C1 | N | 108.6° | 109.5° |
| C | C1 | C2 | 111.1° | 109.4° |
| C | C1 | H32 | 108.5° | 109.5° |
| C1 | C | H33 | 108.4° | 109.5° |
| C1 | C | H34 | 108.4° | 109.5° |
| N | C1 | C2 | 110.9° | 109.5° |
| N | C1 | H32 | 109.3° | 109.5° |
| C1 | N | H45 | 109.5° | 111.0° |
| C1 | N | H46 | 109.5° | 111.0° |
| C1 | C2 | O1 | 109.4° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.5° |
| C1 | C2 | H30 | 108.5° | 109.4° |
| C2 | C1 | H32 | 108.4° | 109.5° |
| O1 | C2 | C3 | 109.5° | 109.5° |
| O1 | C2 | H30 | 109.9° | 109.5° |
| C2 | O1 | H31 | 109.5° | 114.0° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C2 | C3 | H29 | 120.5° | 120.0° |
| C3 | C2 | H30 | 108.6° | 109.5° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H28 | 120.1° | 120.0° |
| C4 | C3 | H29 | 120.5° | 120.0° |
| C4 | C5 | C6 | 111.0° | 109.4° |
| C4 | C5 | H26 | 109.1° | 109.5° |
| C4 | C5 | H27 | 109.1° | 109.5° |
| C5 | C4 | H28 | 120.1° | 120.0° |
| C5 | C6 | C7 | 111.1° | 109.4° |
| C5 | C6 | H24 | 109.0° | 109.5° |
| C5 | C6 | H25 | 109.1° | 109.5° |
| C6 | C5 | H26 | 109.1° | 109.5° |
| C6 | C5 | H27 | 109.1° | 109.5° |
| C6 | C7 | C8 | 111.2° | 109.5° |
| C6 | C7 | H22 | 109.1° | 109.5° |
| C6 | C7 | H23 | 109.1° | 109.5° |
| C7 | C6 | H24 | 109.1° | 109.5° |
| C7 | C6 | H25 | 109.1° | 109.4° |
| C17 | C16 | C15 | 111.4° | 109.5° |
| C16 | C17 | H1 | 109.5° | 109.4° |
| C16 | C17 | H2 | 109.4° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.4° |
| C17 | C16 | H4 | 109.0° | 109.4° |
| C17 | C16 | H5 | 109.0° | 109.5° |
| C16 | C15 | C14 | 110.9° | 109.5° |
| C15 | C16 | H4 | 109.0° | 109.4° |
| C15 | C16 | H5 | 109.0° | 109.5° |
| C16 | C15 | H6 | 109.1° | 109.4° |
| C16 | C15 | H7 | 109.1° | 109.5° |
| C7 | C8 | C9 | 110.8° | 109.4° |
| C7 | C8 | H20 | 109.1° | 109.5° |
| C7 | C8 | H21 | 109.1° | 109.5° |
| C8 | C7 | H22 | 109.0° | 109.5° |
| C8 | C7 | H23 | 109.0° | 109.4° |
| C8 | C9 | C10 | 110.9° | 109.4° |
| C8 | C9 | H18 | 109.1° | 109.5° |
| C8 | C9 | H19 | 109.1° | 109.5° |
| C9 | C8 | H20 | 109.1° | 109.5° |
| C9 | C8 | H21 | 109.1° | 109.5° |
| C9 | C10 | C11 | 110.9° | 109.5° |
| C9 | C10 | H16 | 109.1° | 109.5° |
| C9 | C10 | H17 | 109.1° | 109.5° |
| C10 | C9 | H18 | 109.1° | 109.5° |
| C10 | C9 | H19 | 109.1° | 109.5° |
| C10 | C11 | C12 | 111.0° | 109.5° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| C10 | C11 | H15 | 109.1° | 109.5° |
| C11 | C10 | H16 | 109.1° | 109.4° |
| C11 | C10 | H17 | 109.1° | 109.5° |
| C15 | C14 | C13 | 111.3° | 109.5° |
| C14 | C15 | H6 | 109.1° | 109.4° |
| C14 | C15 | H7 | 109.1° | 109.5° |
| C15 | C14 | H8 | 109.0° | 109.5° |
| C15 | C14 | H9 | 109.0° | 109.5° |
| C11 | C12 | C13 | 110.7° | 109.5° |
| C11 | C12 | H12 | 109.1° | 109.5° |
| C11 | C12 | H13 | 109.2° | 109.4° |
| C12 | C11 | H14 | 109.1° | 109.5° |
| C12 | C11 | H15 | 109.1° | 109.5° |
| C14 | C13 | C12 | 111.1° | 109.5° |
| C13 | C14 | H8 | 109.0° | 109.5° |
| C13 | C14 | H9 | 109.0° | 109.5° |
| C14 | C13 | H10 | 109.1° | 109.5° |
| C14 | C13 | H11 | 109.1° | 109.4° |
| C12 | C13 | H10 | 109.1° | 109.5° |
| C12 | C13 | H11 | 109.1° | 109.5° |
| C13 | C12 | H12 | 109.2° | 109.5° |
| C13 | C12 | H13 | 109.2° | 109.5° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H16 | C10 | H17 | 109.4° | 109.5° |
| H18 | C9 | H19 | 109.4° | 109.5° |
| H20 | C8 | H21 | 109.4° | 109.5° |
| H22 | C7 | H23 | 109.4° | 109.4° |
| H24 | C6 | H25 | 109.5° | 109.5° |
| H26 | C5 | H27 | 109.5° | 109.5° |
| H33 | C | H34 | 109.5° | 109.5° |
| H39 | C48 | H40 | 109.5° | 109.5° |
| H45 | N | H46 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | S | O9 | O4 | 119.1° | 123.0° |
| O10 | S | O9 | O8 | 119.7° | 122.9° |
| O10 | S | O4 | O8 | 120.0° | 113.5° |
| O10 | S | O4 | C45 | 175.4° | 171.5° |
| O10 | S | O8 | H48 | 0.0° | 66.4° |
| O9 | S | O4 | O8 | 121.4° | 113.5° |
| O9 | S | O4 | C45 | 56.8° | 38.5° |
| O9 | S | O8 | H48 | 118.9° | 66.5° |
| S | O4 | C45 | C46 | 118.5° | 145.0° |
| S | O4 | C45 | C44 | 118.0° | 95.4° |
| S | O4 | C45 | H44 | 0.1° | 24.7° |
| O4 | S | O8 | H48 | 119.8° | 180.0° |
| O8 | S | O4 | C45 | 64.6° | 75.0° |
| O4 | C45 | C46 | O5 | 51.7° | 57.0° |
| O4 | C45 | C46 | C44 | 122.2° | 119.9° |
| O4 | C45 | C46 | H44 | 119.3° | 120.2° |
| O4 | C45 | C46 | C47 | 173.0° | 176.8° |
| O4 | C45 | C44 | H44 | 118.9° | 120.2° |
| O4 | C45 | C44 | O3 | 66.0° | 63.3° |
| O4 | C45 | C44 | C43 | 173.6° | 176.8° |
| O4 | C45 | C44 | H36 | 54.8° | 56.9° |
| O4 | C45 | C46 | H42 | 68.3° | 63.3° |
| O5 | C46 | C45 | C47 | 121.3° | 119.9° |
| O5 | C46 | C45 | H42 | 120.0° | 120.2° |
| O5 | C46 | C47 | H42 | 120.1° | 120.2° |
| O5 | C46 | C47 | C48 | 57.3° | 57.7° |
| O5 | C46 | C45 | C44 | 70.6° | 62.9° |
| O5 | C46 | C47 | O6 | 64.8° | 62.3° |
| O5 | C46 | C47 | H38 | 176.5° | 177.7° |
| O5 | C46 | C45 | H44 | 170.9° | 177.2° |
| C45 | C46 | C47 | H42 | 118.7° | 119.9° |
| C45 | C46 | C47 | C48 | 178.5° | 177.6° |
| C46 | C45 | C44 | H44 | 118.4° | 119.9° |
| C45 | C46 | C47 | O6 | 56.3° | 57.6° |
| C46 | C45 | C44 | O3 | 171.4° | 176.9° |
| C46 | C45 | C44 | C43 | 50.9° | 57.0° |
| C46 | C45 | C44 | H36 | 67.9° | 63.0° |
| C45 | C46 | C47 | H38 | 62.3° | 62.4° |
| C45 | C46 | O5 | H43 | 180.0° | 180.0° |
| C46 | C47 | C48 | O6 | 121.3° | 119.9° |
| C46 | C47 | C48 | H38 | 119.2° | 120.0° |
| C46 | C47 | C48 | O7 | 165.8° | 175.1° |
| C47 | C46 | C45 | C44 | 50.7° | 57.0° |
| C46 | C47 | O6 | H38 | 117.8° | 120.0° |
| C46 | C47 | O6 | C43 | 65.1° | 61.2° |
| C46 | C47 | C48 | H39 | 45.8° | 55.1° |
| C46 | C47 | C48 | H40 | 74.1° | 65.0° |
| C47 | C46 | O5 | H43 | 58.3° | 60.4° |
| C47 | C46 | C45 | H44 | 67.8° | 62.9° |
| C47 | C48 | O7 | H39 | 120.0° | 120.0° |
| C47 | C48 | O7 | H40 | 120.0° | 120.0° |
| C48 | C47 | O6 | H38 | 118.8° | 120.1° |
| C48 | C47 | O6 | C43 | 171.5° | 178.8° |
| C47 | C48 | H39 | H40 | 120.0° | 120.1° |
| C47 | C48 | O7 | H41 | 180.0° | 179.9° |
| C48 | C47 | C46 | H42 | 62.8° | 62.5° |
| O7 | C48 | C47 | O6 | 72.9° | 65.0° |
| O7 | C48 | C47 | H38 | 46.6° | 55.1° |
| O7 | C48 | H39 | H40 | 120.0° | 119.9° |
| C45 | C44 | O3 | C43 | 119.7° | 119.6° |
| C45 | C44 | O3 | H36 | 119.8° | 120.2° |
| C45 | C44 | C43 | H36 | 118.8° | 119.9° |
| C45 | C44 | C43 | O6 | 58.3° | 57.6° |
| C45 | C44 | C43 | O | 179.5° | 177.6° |
| C45 | C44 | C43 | H35 | 60.3° | 62.4° |
| C45 | C44 | O3 | H37 | 180.0° | 179.6° |
| C44 | C45 | C46 | H42 | 169.5° | 176.9° |
| C47 | O6 | C43 | C44 | 67.1° | 61.2° |
| C47 | O6 | C43 | O | 169.8° | 178.8° |
| C47 | O6 | C43 | H35 | 50.9° | 58.8° |
| O6 | C47 | C48 | H39 | 167.1° | 175.0° |
| O6 | C47 | C48 | H40 | 47.2° | 54.9° |
| O6 | C47 | C46 | H42 | 175.0° | 177.5° |
| O3 | C44 | C43 | H36 | 121.3° | 120.2° |
| O3 | C44 | C43 | O6 | 178.2° | 177.5° |
| O3 | C44 | C43 | O | 60.6° | 62.6° |
| O3 | C44 | C43 | H35 | 59.6° | 57.5° |
| O3 | C44 | C45 | H44 | 53.0° | 57.0° |
| C44 | C43 | O6 | O | 123.1° | 119.9° |
| C44 | C43 | O6 | H35 | 117.9° | 120.0° |
| C44 | C43 | O | H35 | 119.4° | 120.0° |
| C44 | C43 | O | C | 139.2° | 175.0° |
| C43 | C44 | O3 | H37 | 60.3° | 60.0° |
| C43 | C44 | C45 | H44 | 67.5° | 62.9° |
| O6 | C43 | O | H35 | 118.7° | 120.1° |
| O6 | C43 | O | C | 99.0° | 65.1° |
| O6 | C43 | C44 | H36 | 60.5° | 62.3° |
| C43 | O6 | C47 | H38 | 52.8° | 58.8° |
| C43 | O | C | C1 | 106.9° | 180.0° |
| C43 | O | C | H33 | 132.4° | 60.1° |
| C43 | O | C | H34 | 13.7° | 60.0° |
| O | C43 | C44 | H36 | 60.7° | 57.6° |
| O | C | C1 | H33 | 120.6° | 120.0° |
| O | C | C1 | H34 | 120.6° | 120.0° |
| O | C | C1 | N | 177.3° | 65.0° |
| O | C | C1 | C2 | 60.4° | 175.0° |
| O | C | C1 | H32 | 58.7° | 55.0° |
| O | C | H33 | H34 | 118.1° | 120.0° |
| C | O | C43 | H35 | 19.8° | 55.0° |
| C | C1 | N | C2 | 122.3° | 120.0° |
| C | C1 | N | H32 | 118.2° | 120.0° |
| C | C1 | C2 | H32 | 119.1° | 120.0° |
| C | C1 | C2 | O1 | 83.6° | 60.0° |
| C | C1 | C2 | C3 | 155.5° | 180.0° |
| C | C1 | C2 | H30 | 36.4° | 60.0° |
| C1 | C | H33 | H34 | 118.1° | 120.0° |
| C | C1 | N | H45 | 180.0° | 60.0° |
| C | C1 | N | H46 | 60.0° | 63.9° |
| N | C1 | C2 | H32 | 120.0° | 120.0° |
| N | C1 | C2 | O1 | 155.6° | 180.0° |
| N | C1 | C2 | C3 | 34.7° | 60.0° |
| N | C1 | C2 | H30 | 84.5° | 60.0° |
| N | C1 | C | H33 | 62.0° | 55.0° |
| N | C1 | C | H34 | 56.7° | 175.0° |
| C1 | N | H45 | H46 | 120.0° | 124.0° |
| C1 | C2 | O1 | C3 | 121.7° | 120.0° |
| C1 | C2 | O1 | H30 | 119.1° | 119.9° |
| C1 | C2 | C3 | H30 | 119.1° | 119.9° |
| C1 | C2 | C3 | C4 | 104.3° | 125.0° |
| C1 | C2 | C3 | H29 | 75.6° | 55.0° |
| C1 | C2 | O1 | H31 | 180.0° | 59.9° |
| C2 | C1 | C | H33 | 60.2° | 65.0° |
| C2 | C1 | C | H34 | 179.0° | 55.0° |
| C2 | C1 | N | H45 | 57.7° | 60.0° |
| C2 | C1 | N | H46 | 62.3° | 176.1° |
| O1 | C2 | C3 | H30 | 120.1° | 120.1° |
| O1 | C2 | C3 | C4 | 134.9° | 5.0° |
| O1 | C2 | C3 | H29 | 45.2° | 175.0° |
| O1 | C2 | C1 | H32 | 35.6° | 60.0° |
| C2 | C3 | C4 | H29 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C4 | H28 | 0.1° | 0.0° |
| C3 | C2 | O1 | H31 | 58.3° | 60.1° |
| C3 | C2 | C1 | H32 | 85.3° | 60.0° |
| C3 | C4 | C5 | H28 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 152.4° | 125.1° |
| C3 | C4 | C5 | H26 | 87.4° | 5.0° |
| C3 | C4 | C5 | H27 | 32.2° | 115.0° |
| C4 | C3 | C2 | H30 | 14.8° | 115.1° |
| C4 | C5 | C6 | H26 | 120.2° | 120.0° |
| C4 | C5 | C6 | H27 | 120.2° | 120.0° |
| C4 | C5 | C6 | C7 | 141.4° | 180.0° |
| C4 | C5 | C6 | H24 | 21.1° | 60.0° |
| C4 | C5 | C6 | H25 | 98.4° | 60.0° |
| C4 | C5 | H26 | H27 | 119.3° | 120.0° |
| C5 | C4 | C3 | H29 | 0.1° | 0.0° |
| C5 | C6 | C7 | H24 | 120.2° | 120.1° |
| C5 | C6 | C7 | H25 | 120.3° | 120.0° |
| C5 | C6 | C7 | C8 | 106.6° | 180.0° |
| C5 | C6 | C7 | H22 | 133.1° | 59.9° |
| C5 | C6 | C7 | H23 | 13.6° | 60.0° |
| C5 | C6 | H24 | H25 | 119.3° | 120.0° |
| C6 | C5 | H26 | H27 | 119.3° | 120.0° |
| C6 | C5 | C4 | H28 | 27.6° | 55.0° |
| C6 | C7 | C8 | H22 | 120.3° | 120.1° |
| C6 | C7 | C8 | H23 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 165.6° | 180.0° |
| C6 | C7 | C8 | H20 | 74.1° | 60.0° |
| C6 | C7 | C8 | H21 | 45.4° | 60.1° |
| C6 | C7 | H22 | H23 | 119.2° | 120.0° |
| C7 | C6 | H24 | H25 | 119.3° | 120.0° |
| C7 | C6 | C5 | H26 | 98.4° | 60.0° |
| C7 | C6 | C5 | H27 | 21.2° | 60.1° |
| C17 | C16 | C15 | H4 | 120.3° | 119.9° |
| C17 | C16 | C15 | H5 | 120.3° | 120.1° |
| C17 | C16 | C15 | C14 | 158.1° | 180.0° |
| C16 | C17 | H1 | H2 | 120.0° | 120.0° |
| C16 | C17 | H1 | H3 | 120.0° | 119.9° |
| C16 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C16 | H4 | H5 | 119.1° | 120.0° |
| C17 | C16 | C15 | H6 | 81.6° | 60.1° |
| C17 | C16 | C15 | H7 | 37.9° | 60.0° |
| C16 | C15 | C14 | H6 | 120.2° | 120.0° |
| C16 | C15 | C14 | H7 | 120.2° | 120.0° |
| C16 | C15 | C14 | C13 | 167.7° | 180.0° |
| C15 | C16 | C17 | H1 | 180.0° | 180.0° |
| C15 | C16 | C17 | H2 | 60.0° | 60.0° |
| C15 | C16 | C17 | H3 | 60.0° | 60.1° |
| C15 | C16 | H4 | H5 | 119.1° | 120.0° |
| C16 | C15 | H6 | H7 | 119.4° | 120.0° |
| C16 | C15 | C14 | H8 | 72.1° | 60.0° |
| C16 | C15 | C14 | H9 | 47.4° | 60.0° |
| C7 | C8 | C9 | H20 | 120.2° | 120.0° |
| C7 | C8 | C9 | H21 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 112.6° | 180.0° |
| C7 | C8 | C9 | H18 | 127.1° | 60.0° |
| C7 | C8 | C9 | H19 | 7.6° | 60.0° |
| C7 | C8 | H20 | H21 | 119.4° | 120.0° |
| C8 | C7 | H22 | H23 | 119.2° | 119.9° |
| C8 | C7 | C6 | H24 | 13.6° | 59.9° |
| C8 | C7 | C6 | H25 | 133.1° | 60.0° |
| C8 | C9 | C10 | H18 | 120.2° | 120.0° |
| C8 | C9 | C10 | H19 | 120.2° | 120.0° |
| C8 | C9 | C10 | C11 | 146.0° | 180.0° |
| C8 | C9 | C10 | H16 | 25.8° | 60.0° |
| C8 | C9 | C10 | H17 | 93.7° | 60.0° |
| C8 | C9 | H18 | H19 | 119.3° | 120.0° |
| C9 | C8 | H20 | H21 | 119.4° | 120.0° |
| C9 | C8 | C7 | H22 | 45.3° | 59.9° |
| C9 | C8 | C7 | H23 | 74.1° | 60.0° |
| C9 | C10 | C11 | H16 | 120.2° | 120.0° |
| C9 | C10 | C11 | H17 | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 120.4° | 180.0° |
| C9 | C10 | C11 | H14 | 0.2° | 60.0° |
| C9 | C10 | C11 | H15 | 119.4° | 60.0° |
| C9 | C10 | H16 | H17 | 119.3° | 120.0° |
| C10 | C9 | H18 | H19 | 119.3° | 120.0° |
| C10 | C9 | C8 | H20 | 7.6° | 60.0° |
| C10 | C9 | C8 | H21 | 127.2° | 60.0° |
| C10 | C11 | C12 | H14 | 120.2° | 120.0° |
| C10 | C11 | C12 | H15 | 120.2° | 120.0° |
| C10 | C11 | C12 | C13 | 157.7° | 180.0° |
| C10 | C11 | C12 | H12 | 37.4° | 59.9° |
| C10 | C11 | C12 | H13 | 82.2° | 60.0° |
| C10 | C11 | H14 | H15 | 119.3° | 120.0° |
| C11 | C10 | H16 | H17 | 119.3° | 120.0° |
| C11 | C10 | C9 | H18 | 93.7° | 60.0° |
| C11 | C10 | C9 | H19 | 25.8° | 60.0° |
| C15 | C14 | C13 | H8 | 120.3° | 120.0° |
| C15 | C14 | C13 | H9 | 120.3° | 120.0° |
| C15 | C14 | C13 | C12 | 127.6° | 180.0° |
| C14 | C15 | C16 | H4 | 37.8° | 60.0° |
| C14 | C15 | C16 | H5 | 81.6° | 60.0° |
| C14 | C15 | H6 | H7 | 119.3° | 120.0° |
| C15 | C14 | H8 | H9 | 119.2° | 120.0° |
| C15 | C14 | C13 | H10 | 7.4° | 59.9° |
| C15 | C14 | C13 | H11 | 112.1° | 60.0° |
| C11 | C12 | C13 | C14 | 125.3° | 180.0° |
| C11 | C12 | C13 | H12 | 120.2° | 120.0° |
| C11 | C12 | C13 | H13 | 120.2° | 120.0° |
| C11 | C12 | C13 | H10 | 5.1° | 60.0° |
| C11 | C12 | C13 | H11 | 114.4° | 60.0° |
| C11 | C12 | H12 | H13 | 119.4° | 119.9° |
| C12 | C11 | H14 | H15 | 119.3° | 120.0° |
| C12 | C11 | C10 | H16 | 119.4° | 60.0° |
| C12 | C11 | C10 | H17 | 0.2° | 60.0° |
| C14 | C13 | C12 | H10 | 120.3° | 120.0° |
| C14 | C13 | C12 | H11 | 120.3° | 120.0° |
| C13 | C14 | C15 | H6 | 47.5° | 60.0° |
| C13 | C14 | C15 | H7 | 72.1° | 60.0° |
| C13 | C14 | H8 | H9 | 119.2° | 120.0° |
| C14 | C13 | H10 | H11 | 119.3° | 119.9° |
| C14 | C13 | C12 | H12 | 5.1° | 60.0° |
| C14 | C13 | C12 | H13 | 114.5° | 60.0° |
| C12 | C13 | C14 | H8 | 112.1° | 60.0° |
| C12 | C13 | C14 | H9 | 7.4° | 60.0° |
| C12 | C13 | H10 | H11 | 119.2° | 120.0° |
| C13 | C12 | H12 | H13 | 119.4° | 120.0° |
| C13 | C12 | C11 | H14 | 82.1° | 60.0° |
| C13 | C12 | C11 | H15 | 37.4° | 60.0° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H1 | C17 | C16 | H4 | 59.7° | 60.1° |
| H1 | C17 | C16 | H5 | 59.7° | 60.0° |
| H2 | C17 | C16 | H4 | 60.3° | 59.9° |
| H2 | C17 | C16 | H5 | 179.7° | 180.0° |
| H3 | C17 | C16 | H4 | 179.7° | 180.0° |
| H3 | C17 | C16 | H5 | 60.3° | 60.0° |
| H4 | C16 | C15 | H6 | 158.1° | 180.0° |
| H4 | C16 | C15 | H7 | 82.4° | 60.0° |
| H5 | C16 | C15 | H6 | 38.6° | 60.0° |
| H5 | C16 | C15 | H7 | 158.2° | 180.0° |
| H6 | C15 | C14 | H8 | 167.7° | 179.9° |
| H6 | C15 | C14 | H9 | 72.8° | 60.0° |
| H7 | C15 | C14 | H8 | 48.1° | 60.0° |
| H7 | C15 | C14 | H9 | 167.6° | 180.0° |
| H8 | C14 | C13 | H10 | 127.6° | 180.0° |
| H8 | C14 | C13 | H11 | 8.1° | 60.0° |
| H9 | C14 | C13 | H10 | 112.9° | 60.1° |
| H9 | C14 | C13 | H11 | 127.6° | 180.0° |
| H10 | C13 | C12 | H12 | 115.1° | 180.0° |
| H10 | C13 | C12 | H13 | 125.3° | 60.0° |
| H11 | C13 | C12 | H12 | 125.4° | 60.0° |
| H11 | C13 | C12 | H13 | 5.8° | 180.0° |
| H12 | C12 | C11 | H14 | 157.7° | 180.0° |
| H12 | C12 | C11 | H15 | 82.8° | 60.1° |
| H13 | C12 | C11 | H14 | 38.1° | 60.0° |
| H13 | C12 | C11 | H15 | 157.6° | 180.0° |
| H14 | C11 | C10 | H16 | 120.4° | 179.9° |
| H14 | C11 | C10 | H17 | 120.0° | 60.0° |
| H15 | C11 | C10 | H16 | 0.9° | 60.0° |
| H15 | C11 | C10 | H17 | 120.4° | 179.9° |
| H16 | C10 | C9 | H18 | 146.0° | 180.0° |
| H16 | C10 | C9 | H19 | 94.4° | 60.0° |
| H17 | C10 | C9 | H18 | 26.5° | 60.0° |
| H17 | C10 | C9 | H19 | 146.0° | 180.0° |
| H18 | C9 | C8 | H20 | 112.7° | 180.0° |
| H18 | C9 | C8 | H21 | 6.9° | 59.9° |
| H19 | C9 | C8 | H20 | 127.8° | 59.9° |
| H19 | C9 | C8 | H21 | 112.6° | 180.0° |
| H20 | C8 | C7 | H22 | 165.6° | 179.9° |
| H20 | C8 | C7 | H23 | 46.1° | 60.0° |
| H21 | C8 | C7 | H22 | 74.9° | 60.0° |
| H21 | C8 | C7 | H23 | 165.7° | 180.0° |
| H22 | C7 | C6 | H24 | 106.7° | 180.0° |
| H22 | C7 | C6 | H25 | 12.8° | 60.0° |
| H23 | C7 | C6 | H24 | 133.8° | 60.0° |
| H23 | C7 | C6 | H25 | 106.6° | 180.0° |
| H24 | C6 | C5 | H26 | 141.4° | NaN° |
| H24 | C6 | C5 | H27 | 99.0° | 60.0° |
| H25 | C6 | C5 | H26 | 21.8° | 60.0° |
| H25 | C6 | C5 | H27 | 141.4° | 180.0° |
| H26 | C5 | C4 | H28 | 92.6° | 175.0° |
| H27 | C5 | C4 | H28 | 147.8° | 65.0° |
| H28 | C4 | C3 | H29 | 179.9° | 180.0° |
| H29 | C3 | C2 | H30 | 165.2° | 64.9° |
| H30 | C2 | O1 | H31 | 61.0° | 179.9° |
| H30 | C2 | C1 | H32 | 155.5° | 180.0° |
| H32 | C1 | C | H33 | 179.3° | 175.0° |
| H32 | C1 | C | H34 | 61.9° | 65.0° |
| H32 | C1 | N | H45 | 61.8° | 180.0° |
| H32 | C1 | N | H46 | 178.2° | 56.1° |
| H35 | C43 | C44 | H36 | 179.1° | 177.6° |
| H36 | C44 | O3 | H37 | 60.1° | 60.2° |
| H36 | C44 | C45 | H44 | 173.7° | 177.1° |
| H38 | C47 | C48 | H39 | 73.4° | 64.9° |
| H38 | C47 | C48 | H40 | 166.7° | 175.0° |
| H38 | C47 | C46 | H42 | 56.4° | 57.5° |
| H39 | C48 | O7 | H41 | 60.0° | 59.9° |
| H40 | C48 | O7 | H41 | 60.0° | 60.1° |
| H42 | C46 | O5 | H43 | 61.0° | 59.8° |
| H42 | C46 | C45 | H44 | 51.0° | 57.0° |
