GR6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| O38 | C1 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | O40 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | S7 | sing | 1.76Å | 1.80Å | |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O8 | S7 | doub | 1.42Å | 1.46Å | |
| S7 | O9 | doub | 1.42Å | 1.46Å | |
| S7 | N10 | sing | 1.68Å | 1.67Å | |
| C15 | N10 | sing | 1.47Å | 1.45Å | |
| N10 | C11 | sing | 1.49Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C44 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| C31 | C18 | sing | 1.53Å | 1.57Å | |
| C18 | N19 | sing | 1.47Å | 1.46Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N19 | C20 | sing | 1.35Å | 1.35Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| O21 | C20 | doub | 1.21Å | 1.21Å | |
| C20 | O22 | sing | 1.35Å | 1.37Å | |
| O22 | C23 | sing | 1.45Å | 1.45Å | |
| C30 | C23 | sing | 1.54Å | 1.55Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | O25 | sing | 1.44Å | 1.42Å | |
| C30 | C26 | sing | 1.56Å | 1.56Å | |
| O27 | C26 | sing | 1.43Å | 1.38Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | O27 | sing | 1.43Å | 1.45Å | |
| C29 | C28 | sing | 1.54Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.57Å | 1.52Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | C31 | sing | 1.51Å | 1.51Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| O38 | C39 | sing | 1.43Å | 1.46Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| O40 | C41 | sing | 1.43Å | 1.43Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.49Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | C44 | doub | 1.31Å | 1.35Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | O38 | 116.1° | 120.0° |
| C6 | C1 | C2 | 122.1° | 119.9° |
| C1 | C6 | C5 | 119.0° | 120.1° |
| C1 | C6 | H6 | 120.5° | 119.9° |
| O38 | C1 | C2 | 121.8° | 120.0° |
| C1 | O38 | C39 | 114.4° | 117.0° |
| C1 | C2 | C3 | 117.7° | 119.9° |
| C1 | C2 | H2 | 121.2° | 120.1° |
| C3 | C2 | H2 | 121.1° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | O40 | 121.3° | 120.1° |
| C4 | C3 | O40 | 117.8° | 119.9° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C3 | C4 | S7 | 123.7° | 120.0° |
| C3 | O40 | C41 | 117.8° | 117.0° |
| C5 | C4 | S7 | 116.5° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.1° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C4 | S7 | O8 | 105.8° | 106.5° |
| C4 | S7 | O9 | 108.9° | 106.6° |
| C4 | S7 | N10 | 109.0° | 106.1° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | H6 | 120.5° | 120.0° |
| O8 | S7 | O9 | 121.7° | 123.3° |
| O8 | S7 | N10 | 106.1° | 106.7° |
| O9 | S7 | N10 | 104.9° | 106.6° |
| S7 | N10 | C15 | 118.3° | 122.9° |
| S7 | N10 | C11 | 120.5° | 114.3° |
| C15 | N10 | C11 | 120.3° | 122.9° |
| N10 | C15 | C16 | 110.0° | 109.5° |
| N10 | C15 | H15 | 109.3° | 109.4° |
| N10 | C15 | H15A | 109.2° | 109.5° |
| N10 | C11 | C12 | 112.4° | 108.1° |
| N10 | C11 | H11 | 108.5° | 109.7° |
| N10 | C11 | H11A | 107.8° | 109.7° |
| C12 | C11 | H11 | 108.5° | 109.8° |
| C12 | C11 | H11A | 107.8° | 109.8° |
| C11 | C12 | C13 | 110.4° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C11 | C12 | H12A | 109.0° | 109.5° |
| H11 | C11 | H11A | 111.8° | 109.7° |
| C13 | C12 | H12 | 109.2° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.5° |
| C12 | C13 | C14 | 115.3° | 109.5° |
| C12 | C13 | H13 | 107.6° | 109.4° |
| C12 | C13 | H13A | 106.2° | 109.5° |
| H12 | C12 | H12A | 110.1° | 109.4° |
| C14 | C13 | H13 | 107.6° | 109.5° |
| C14 | C13 | H13A | 106.2° | 109.5° |
| C13 | C14 | C44 | 124.5° | 109.5° |
| C13 | C14 | H14 | 104.8° | 109.5° |
| C13 | C14 | H14A | 101.2° | 109.5° |
| H13 | C13 | H13A | 114.2° | 109.5° |
| C44 | C14 | H14 | 104.7° | 109.5° |
| C44 | C14 | H14A | 101.2° | 109.5° |
| C14 | C44 | C43 | 123.8° | 120.0° |
| C14 | C44 | H44 | 118.1° | 120.0° |
| H14 | C14 | H14A | 122.2° | 109.4° |
| C16 | C15 | H15 | 109.3° | 109.5° |
| C16 | C15 | H15A | 109.2° | 109.5° |
| C15 | C16 | C18 | 112.7° | 109.5° |
| C15 | C16 | O17 | 108.1° | 109.5° |
| C15 | C16 | H16 | 108.4° | 109.5° |
| H15 | C15 | H15A | 109.9° | 109.5° |
| C18 | C16 | O17 | 110.1° | 109.5° |
| C18 | C16 | H16 | 106.4° | 109.5° |
| C16 | C18 | C31 | 114.1° | 109.5° |
| C16 | C18 | N19 | 109.2° | 109.5° |
| C16 | C18 | H18 | 105.4° | 109.5° |
| O17 | C16 | H16 | 111.1° | 109.4° |
| C16 | O17 | HO17 | 109.5° | 114.0° |
| C31 | C18 | N19 | 105.8° | 109.5° |
| C31 | C18 | H18 | 108.8° | 109.5° |
| C18 | C31 | C37 | 107.9° | 109.5° |
| C18 | C31 | H31 | 110.0° | 109.5° |
| C18 | C31 | H31A | 110.3° | 109.5° |
| N19 | C18 | H18 | 113.8° | 109.4° |
| C18 | N19 | C20 | 122.9° | 119.9° |
| C18 | N19 | HN19 | 118.6° | 120.0° |
| C20 | N19 | HN19 | 118.6° | 120.0° |
| N19 | C20 | O21 | 127.5° | 120.1° |
| N19 | C20 | O22 | 107.5° | 119.9° |
| O21 | C20 | O22 | 125.0° | 120.0° |
| C20 | O22 | C23 | 114.1° | 117.0° |
| O22 | C23 | C30 | 107.8° | 110.4° |
| O22 | C23 | C24 | 106.4° | 110.4° |
| O22 | C23 | H23 | 109.8° | 110.4° |
| C30 | C23 | C24 | 100.0° | 104.7° |
| C30 | C23 | H23 | 115.4° | 110.4° |
| C23 | C30 | C26 | 103.7° | 102.7° |
| C23 | C30 | C29 | 118.3° | 109.3° |
| C23 | C30 | H30 | 105.7° | 113.8° |
| C24 | C23 | H23 | 116.6° | 110.4° |
| C23 | C24 | O25 | 105.0° | 107.4° |
| C23 | C24 | H24 | 111.0° | 109.9° |
| C23 | C24 | H24A | 112.0° | 109.9° |
| O25 | C24 | H24 | 111.0° | 109.9° |
| O25 | C24 | H24A | 112.0° | 110.0° |
| C24 | O25 | C26 | 108.0° | 107.9° |
| H24 | C24 | H24A | 106.0° | 109.8° |
| O25 | C26 | C30 | 106.6° | 104.0° |
| O25 | C26 | O27 | 109.2° | 108.8° |
| O25 | C26 | H26 | 111.0° | 112.6° |
| C30 | C26 | O27 | 107.8° | 105.7° |
| C30 | C26 | H26 | 112.3° | 112.7° |
| C26 | C30 | C29 | 102.4° | 100.4° |
| C26 | C30 | H30 | 120.8° | 115.4° |
| O27 | C26 | H26 | 109.9° | 112.5° |
| C26 | O27 | C28 | 112.2° | 110.4° |
| O27 | C28 | C29 | 103.6° | 107.6° |
| O27 | C28 | H28 | 111.5° | 109.9° |
| O27 | C28 | H28A | 112.7° | 109.8° |
| C29 | C28 | H28 | 111.5° | 109.8° |
| C29 | C28 | H28A | 112.8° | 109.9° |
| C28 | C29 | C30 | 104.8° | 102.8° |
| C28 | C29 | H29 | 111.1° | 110.8° |
| C28 | C29 | H29A | 112.1° | 110.8° |
| H28 | C28 | H28A | 105.0° | 109.8° |
| C30 | C29 | H29 | 111.1° | 110.7° |
| C30 | C29 | H29A | 112.1° | 110.7° |
| C29 | C30 | H30 | 106.8° | 113.9° |
| H29 | C29 | H29A | 105.9° | 110.9° |
| C37 | C31 | H31 | 110.0° | 109.5° |
| C37 | C31 | H31A | 110.3° | 109.4° |
| C31 | C37 | C32 | 120.0° | 120.0° |
| C31 | C37 | C36 | 123.3° | 120.0° |
| H31 | C31 | H31A | 108.3° | 109.4° |
| C33 | C32 | C37 | 124.8° | 120.0° |
| C33 | C32 | H32 | 117.6° | 120.0° |
| C32 | C33 | C34 | 116.6° | 120.0° |
| C32 | C33 | H33 | 121.7° | 120.0° |
| C37 | C32 | H32 | 117.6° | 120.0° |
| C32 | C37 | C36 | 116.8° | 120.0° |
| C34 | C33 | H33 | 121.7° | 120.0° |
| C33 | C34 | C35 | 120.7° | 120.0° |
| C33 | C34 | H34 | 119.7° | 120.0° |
| C35 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | C36 | 121.6° | 120.1° |
| C34 | C35 | H35 | 119.2° | 119.9° |
| C36 | C35 | H35 | 119.2° | 120.0° |
| C35 | C36 | C37 | 119.5° | 120.0° |
| C35 | C36 | H36 | 120.3° | 120.1° |
| C37 | C36 | H36 | 120.2° | 120.0° |
| O38 | C39 | H39 | 109.5° | 109.5° |
| O38 | C39 | H39A | 109.4° | 109.5° |
| O38 | C39 | H39B | 109.5° | 109.5° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| H39 | C39 | H39B | 109.5° | 109.4° |
| H39A | C39 | H39B | 109.5° | 109.5° |
| O40 | C41 | C42 | 109.5° | 109.4° |
| O40 | C41 | H41 | 109.4° | 109.4° |
| O40 | C41 | H41A | 109.4° | 109.5° |
| C42 | C41 | H41 | 109.5° | 109.5° |
| C42 | C41 | H41A | 109.5° | 109.5° |
| C41 | C42 | C43 | 121.8° | 109.5° |
| C41 | C42 | H42 | 105.6° | 109.5° |
| C41 | C42 | H42A | 102.7° | 109.4° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| C43 | C42 | H42 | 105.6° | 109.5° |
| C43 | C42 | H42A | 102.7° | 109.5° |
| C42 | C43 | C44 | 121.1° | 120.1° |
| C42 | C43 | H43 | 119.4° | 120.0° |
| H42 | C42 | H42A | 119.8° | 109.5° |
| C44 | C43 | H43 | 119.4° | 119.9° |
| C43 | C44 | H44 | 118.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | O38 | C2 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 180.0° | 179.9° |
| C6 | C1 | O38 | C39 | 162.6° | 0.2° |
| O38 | C1 | C2 | C3 | 180.0° | 179.7° |
| O38 | C1 | C2 | H2 | 0.0° | 0.2° |
| O38 | C1 | C6 | C5 | 180.0° | 179.7° |
| O38 | C1 | C6 | H6 | 0.1° | 0.3° |
| C1 | O38 | C39 | H39 | 118.9° | 180.0° |
| C1 | O38 | C39 | H39A | 121.2° | 60.0° |
| C1 | O38 | C39 | H39B | 1.1° | 60.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | O40 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.1° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | O38 | C39 | 17.4° | 180.0° |
| C2 | C3 | C4 | O40 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | S7 | 174.9° | 179.9° |
| C2 | C3 | O40 | C41 | 8.0° | 43.8° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | O40 | 0.0° | 0.1° |
| C3 | C4 | C5 | S7 | 175.3° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | S7 | O8 | 168.8° | 16.6° |
| C3 | C4 | S7 | O9 | 36.3° | 149.9° |
| C3 | C4 | S7 | N10 | 77.6° | 96.8° |
| C4 | C3 | O40 | C41 | 172.0° | 136.1° |
| O40 | C3 | C4 | C5 | 180.0° | 180.0° |
| O40 | C3 | C4 | S7 | 5.1° | 0.0° |
| C3 | O40 | C41 | C42 | 175.7° | 170.7° |
| C3 | O40 | C41 | H41 | 64.3° | 50.8° |
| C3 | O40 | C41 | H41A | 55.7° | 69.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C4 | S7 | O8 | 6.3° | 163.4° |
| C5 | C4 | S7 | O9 | 138.8° | 30.1° |
| C5 | C4 | S7 | N10 | 107.3° | 83.2° |
| S7 | C4 | C5 | C6 | 175.3° | 179.9° |
| S7 | C4 | C5 | H5 | 4.7° | 0.1° |
| C4 | S7 | O8 | O9 | 124.8° | 123.4° |
| C4 | S7 | O8 | N10 | 115.7° | 113.0° |
| C4 | S7 | O9 | N10 | 116.5° | 113.0° |
| C4 | S7 | N10 | C15 | 83.0° | 13.6° |
| C4 | S7 | N10 | C11 | 86.1° | 166.4° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| O8 | S7 | O9 | N10 | 120.1° | 123.6° |
| O8 | S7 | N10 | C15 | 30.5° | 126.9° |
| O8 | S7 | N10 | C11 | 160.4° | 53.1° |
| O9 | S7 | N10 | C15 | 160.6° | 99.7° |
| O9 | S7 | N10 | C11 | 30.4° | 80.3° |
| S7 | N10 | C15 | C11 | 169.1° | 180.0° |
| S7 | N10 | C11 | C12 | 90.9° | 124.4° |
| S7 | N10 | C11 | H11 | 29.1° | 4.7° |
| S7 | N10 | C11 | H11A | 150.4° | 115.9° |
| S7 | N10 | C15 | C16 | 121.4° | 111.8° |
| S7 | N10 | C15 | H15 | 118.6° | 8.2° |
| S7 | N10 | C15 | H15A | 1.6° | 128.2° |
| C15 | N10 | C11 | C12 | 100.3° | 55.6° |
| C15 | N10 | C11 | H11 | 139.7° | 175.3° |
| C15 | N10 | C11 | H11A | 18.4° | 64.1° |
| N10 | C15 | C16 | H15 | 120.0° | 120.0° |
| N10 | C15 | C16 | H15A | 119.8° | 120.0° |
| N10 | C15 | H15 | H15A | 119.8° | 120.0° |
| N10 | C15 | C16 | C18 | 73.9° | 174.4° |
| N10 | C15 | C16 | O17 | 164.2° | 65.6° |
| N10 | C15 | C16 | H16 | 43.6° | 54.3° |
| N10 | C11 | C12 | H11 | 120.0° | 119.7° |
| N10 | C11 | C12 | H11A | 118.7° | 119.6° |
| N10 | C11 | H11 | H11A | 118.8° | 120.6° |
| N10 | C11 | C12 | C13 | 165.0° | 123.3° |
| N10 | C11 | C12 | H12 | 45.0° | 116.7° |
| N10 | C11 | C12 | H12A | 75.4° | 3.3° |
| C11 | N10 | C15 | C16 | 69.5° | 68.1° |
| C11 | N10 | C15 | H15 | 50.5° | 171.9° |
| C11 | N10 | C15 | H15A | 170.7° | 51.9° |
| C12 | C11 | H11 | H11A | 118.8° | 120.7° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 119.6° | 120.0° |
| C11 | C12 | H12 | H12A | 119.6° | 120.0° |
| C11 | C12 | C13 | C14 | 80.4° | 132.3° |
| C11 | C12 | C13 | H13 | 39.6° | 12.4° |
| C11 | C12 | C13 | H13A | 162.3° | 107.7° |
| H11 | C11 | C12 | C13 | 75.0° | 3.6° |
| H11 | C11 | C12 | H12 | 165.0° | 123.7° |
| H11 | C11 | C12 | H12A | 44.6° | 116.4° |
| H11A | C11 | C12 | C13 | 46.2° | 117.0° |
| H11A | C11 | C12 | H12 | 73.8° | 3.0° |
| H11A | C11 | C12 | H12A | 165.9° | 122.9° |
| C13 | C12 | H12 | H12A | 119.6° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 117.3° | 120.0° |
| C12 | C13 | H13 | H13A | 117.6° | 120.0° |
| C12 | C13 | C14 | C44 | 27.1° | 84.5° |
| C12 | C13 | C14 | H14 | 147.1° | 155.4° |
| C12 | C13 | C14 | H14A | 85.0° | 35.5° |
| H12 | C12 | C13 | C14 | 159.6° | 107.6° |
| H12 | C12 | C13 | H13 | 80.4° | 132.4° |
| H12 | C12 | C13 | H13A | 42.2° | 12.4° |
| H12A | C12 | C13 | C14 | 39.2° | 12.3° |
| H12A | C12 | C13 | H13 | 159.2° | 107.7° |
| H12A | C12 | C13 | H13A | 78.1° | 132.3° |
| C14 | C13 | H13 | H13A | 117.6° | 120.0° |
| C13 | C14 | C44 | H14 | 120.0° | 120.1° |
| C13 | C14 | C44 | H14A | 112.1° | 120.0° |
| C13 | C14 | H14 | H14A | 113.8° | 120.0° |
| C13 | C14 | C44 | C43 | 74.2° | 135.3° |
| C13 | C14 | C44 | H44 | 105.8° | 44.7° |
| H13 | C13 | C14 | C44 | 92.9° | 35.4° |
| H13 | C13 | C14 | H14 | 27.1° | 84.6° |
| H13 | C13 | C14 | H14A | 155.0° | 155.4° |
| H13A | C13 | C14 | C44 | 144.4° | 155.5° |
| H13A | C13 | C14 | H14 | 95.6° | 35.4° |
| H13A | C13 | C14 | H14A | 32.3° | 84.5° |
| C44 | C14 | H14 | H14A | 113.8° | 120.0° |
| C14 | C44 | C43 | C42 | 179.9° | 180.0° |
| C14 | C44 | C43 | H44 | 180.0° | 180.0° |
| C14 | C44 | C43 | H43 | 0.1° | 0.1° |
| H14 | C14 | C44 | C43 | 45.8° | 104.7° |
| H14 | C14 | C44 | H44 | 134.2° | 75.3° |
| H14A | C14 | C44 | C43 | 173.7° | 15.3° |
| H14A | C14 | C44 | H44 | 6.3° | 164.7° |
| C16 | C15 | H15 | H15A | 119.8° | 120.0° |
| C15 | C16 | C18 | O17 | 120.8° | 120.0° |
| C15 | C16 | C18 | H16 | 118.7° | 120.0° |
| C15 | C16 | O17 | H16 | 118.9° | 120.0° |
| C15 | C16 | O17 | HO17 | 100.2° | 59.9° |
| C15 | C16 | C18 | C31 | 72.5° | 65.0° |
| C15 | C16 | C18 | N19 | 169.4° | 175.0° |
| C15 | C16 | C18 | H18 | 46.8° | 55.0° |
| H15 | C15 | C16 | C18 | 166.1° | 65.6° |
| H15 | C15 | C16 | O17 | 44.2° | 54.4° |
| H15 | C15 | C16 | H16 | 76.4° | 174.3° |
| H15A | C15 | C16 | C18 | 45.9° | 54.4° |
| H15A | C15 | C16 | O17 | 76.0° | 174.4° |
| H15A | C15 | C16 | H16 | 163.4° | 65.7° |
| C18 | C16 | O17 | H16 | 117.6° | 120.1° |
| C18 | C16 | O17 | HO17 | 136.3° | 60.0° |
| C16 | C18 | C31 | N19 | 120.0° | 120.0° |
| C16 | C18 | C31 | H18 | 117.3° | 120.0° |
| C16 | C18 | N19 | H18 | 117.4° | 120.0° |
| C16 | C18 | N19 | C20 | 108.8° | 155.0° |
| C16 | C18 | N19 | HN19 | 71.2° | 25.0° |
| C16 | C18 | C31 | C37 | 180.0° | 175.0° |
| C16 | C18 | C31 | H31 | 60.0° | 65.0° |
| C16 | C18 | C31 | H31A | 59.4° | 55.0° |
| O17 | C16 | C18 | C31 | 48.3° | 55.0° |
| O17 | C16 | C18 | N19 | 69.9° | 65.0° |
| O17 | C16 | C18 | H18 | 167.6° | 175.0° |
| H16 | C16 | O17 | HO17 | 18.6° | 179.9° |
| H16 | C16 | C18 | C31 | 168.8° | 175.0° |
| H16 | C16 | C18 | N19 | 50.7° | 55.0° |
| H16 | C16 | C18 | H18 | 71.9° | 65.0° |
| C31 | C18 | N19 | H18 | 119.4° | 120.0° |
| C31 | C18 | N19 | C20 | 128.0° | 85.0° |
| C31 | C18 | N19 | HN19 | 52.0° | 95.0° |
| C18 | C31 | C37 | H31 | 120.0° | 120.1° |
| C18 | C31 | C37 | H31A | 120.6° | 120.0° |
| C18 | C31 | H31 | H31A | 120.6° | 120.0° |
| C18 | C31 | C37 | C32 | 108.6° | 90.1° |
| C18 | C31 | C37 | C36 | 71.3° | 90.3° |
| C18 | N19 | C20 | HN19 | 180.0° | 180.0° |
| C18 | N19 | C20 | O21 | 9.0° | 0.0° |
| C18 | N19 | C20 | O22 | 171.0° | 180.0° |
| N19 | C18 | C31 | C37 | 60.0° | 65.0° |
| N19 | C18 | C31 | H31 | 60.1° | 55.0° |
| N19 | C18 | C31 | H31A | 179.4° | 175.0° |
| H18 | C18 | N19 | C20 | 8.6° | 35.0° |
| H18 | C18 | N19 | HN19 | 171.4° | 145.0° |
| H18 | C18 | C31 | C37 | 62.7° | 54.9° |
| H18 | C18 | C31 | H31 | 177.3° | 175.0° |
| H18 | C18 | C31 | H31A | 58.0° | 65.0° |
| N19 | C20 | O21 | O22 | 180.0° | 180.0° |
| N19 | C20 | O22 | C23 | 170.7° | 180.0° |
| HN19 | N19 | C20 | O21 | 171.0° | 180.0° |
| HN19 | N19 | C20 | O22 | 9.0° | 0.0° |
| O21 | C20 | O22 | C23 | 9.3° | 0.0° |
| C20 | O22 | C23 | C30 | 107.0° | 153.2° |
| C20 | O22 | C23 | C24 | 146.5° | 91.5° |
| C20 | O22 | C23 | H23 | 19.5° | 30.8° |
| O22 | C23 | C30 | C24 | 111.0° | 118.8° |
| O22 | C23 | C30 | H23 | 123.1° | 122.4° |
| O22 | C23 | C24 | H23 | 122.8° | 122.3° |
| O22 | C23 | C24 | O25 | 71.6° | 115.3° |
| O22 | C23 | C24 | H24 | 168.3° | 125.2° |
| O22 | C23 | C24 | H24A | 50.1° | 4.3° |
| O22 | C23 | C30 | C26 | 83.2° | 136.5° |
| O22 | C23 | C30 | C29 | 29.3° | 30.5° |
| O22 | C23 | C30 | H30 | 148.8° | 98.1° |
| C30 | C23 | C24 | H23 | 125.1° | 118.8° |
| C30 | C23 | C24 | O25 | 40.4° | 3.5° |
| C30 | C23 | C24 | H24 | 79.6° | 116.0° |
| C30 | C23 | C24 | H24A | 162.1° | 123.1° |
| C23 | C30 | C26 | O25 | 7.1° | 33.0° |
| C23 | C30 | C26 | C29 | 123.6° | 112.7° |
| C23 | C30 | C26 | H30 | 117.9° | 124.4° |
| C23 | C30 | C26 | O27 | 110.0° | 147.5° |
| C23 | C30 | C26 | H26 | 128.8° | 89.2° |
| C23 | C30 | C29 | C28 | 86.7° | 140.6° |
| C23 | C30 | C29 | H30 | 118.9° | 128.5° |
| C23 | C30 | C29 | H29 | 153.4° | 101.1° |
| C23 | C30 | C29 | H29A | 35.1° | 22.2° |
| C23 | C24 | O25 | H24 | 120.0° | 119.5° |
| C23 | C24 | O25 | H24A | 121.7° | 119.5° |
| C23 | C24 | H24 | H24A | 121.8° | 120.9° |
| C23 | C24 | O25 | C26 | 38.3° | 25.7° |
| C24 | C23 | C30 | C26 | 27.8° | 17.6° |
| C24 | C23 | C30 | C29 | 140.3° | 88.4° |
| C24 | C23 | C30 | H30 | 100.2° | 143.0° |
| H23 | C23 | C24 | O25 | 165.5° | 122.3° |
| H23 | C23 | C24 | H24 | 45.5° | 2.9° |
| H23 | C23 | C24 | H24A | 72.8° | 118.1° |
| H23 | C23 | C30 | C26 | 153.7° | 101.2° |
| H23 | C23 | C30 | C29 | 93.8° | 152.8° |
| H23 | C23 | C30 | H30 | 25.7° | 24.3° |
| O25 | C24 | H24 | H24A | 121.8° | 121.1° |
| C24 | O25 | C26 | C30 | 19.1° | 37.0° |
| C24 | O25 | C26 | O27 | 135.2° | 149.2° |
| C24 | O25 | C26 | H26 | 103.5° | 85.4° |
| H24 | C24 | O25 | C26 | 81.7° | 93.8° |
| H24A | C24 | O25 | C26 | 160.0° | 145.2° |
| O25 | C26 | C30 | O27 | 117.1° | 114.5° |
| O25 | C26 | C30 | H26 | 121.8° | 122.3° |
| O25 | C26 | O27 | H26 | 121.9° | 125.5° |
| O25 | C26 | O27 | C28 | 109.5° | 88.1° |
| O25 | C26 | C30 | C29 | 130.7° | 79.7° |
| O25 | C26 | C30 | H30 | 110.9° | 157.4° |
| C30 | C26 | O27 | H26 | 122.7° | 123.4° |
| C30 | C26 | O27 | C28 | 5.9° | 23.1° |
| C26 | C30 | C29 | C28 | 26.5° | 33.0° |
| C26 | C30 | C29 | H30 | 127.9° | 123.9° |
| C26 | C30 | C29 | H29 | 93.4° | 151.3° |
| C26 | C30 | C29 | H29A | 148.3° | 85.3° |
| C26 | O27 | C28 | C29 | 22.8° | 0.9° |
| C26 | O27 | C28 | H28 | 142.8° | 120.4° |
| C26 | O27 | C28 | H28A | 99.4° | 118.7° |
| O27 | C26 | C30 | C29 | 13.6° | 34.8° |
| O27 | C26 | C30 | H30 | 132.1° | 88.1° |
| H26 | C26 | O27 | C28 | 128.6° | 146.5° |
| H26 | C26 | C30 | C29 | 107.6° | 158.0° |
| H26 | C26 | C30 | H30 | 10.9° | 35.1° |
| O27 | C28 | C29 | H28 | 120.0° | 119.6° |
| O27 | C28 | C29 | H28A | 122.2° | 119.6° |
| O27 | C28 | H28 | H28A | 122.4° | 120.9° |
| O27 | C28 | C29 | C30 | 30.4° | 21.3° |
| O27 | C28 | C29 | H29 | 89.6° | 139.6° |
| O27 | C28 | C29 | H29A | 152.2° | 97.0° |
| C29 | C28 | H28 | H28A | 122.4° | 120.9° |
| C28 | C29 | C30 | H29 | 120.0° | 118.3° |
| C28 | C29 | C30 | H29A | 121.8° | 118.3° |
| C28 | C29 | H29 | H29A | 121.9° | 123.4° |
| C28 | C29 | C30 | H30 | 154.4° | 90.9° |
| H28 | C28 | C29 | C30 | 150.4° | 98.3° |
| H28 | C28 | C29 | H29 | 30.4° | 20.0° |
| H28 | C28 | C29 | H29A | 87.8° | 143.5° |
| H28A | C28 | C29 | C30 | 91.8° | 140.9° |
| H28A | C28 | C29 | H29 | 148.3° | 100.9° |
| H28A | C28 | C29 | H29A | 30.0° | 22.6° |
| C30 | C29 | H29 | H29A | 121.9° | 123.3° |
| H29 | C29 | C30 | H30 | 34.5° | 27.4° |
| H29A | C29 | C30 | H30 | 83.8° | 150.7° |
| C37 | C31 | H31 | H31A | 120.6° | 119.9° |
| C31 | C37 | C32 | C33 | 180.0° | 179.7° |
| C31 | C37 | C32 | C36 | 179.8° | 179.7° |
| C31 | C37 | C32 | H32 | 0.0° | 0.0° |
| C31 | C37 | C36 | C35 | 179.9° | 179.8° |
| C31 | C37 | C36 | H36 | 0.1° | 0.3° |
| H31 | C31 | C37 | C32 | 11.5° | 30.0° |
| H31 | C31 | C37 | C36 | 168.7° | 149.6° |
| H31A | C31 | C37 | C32 | 130.8° | 150.0° |
| H31A | C31 | C37 | C36 | 49.3° | 29.7° |
| C33 | C32 | C37 | H32 | 180.0° | 179.8° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| C33 | C32 | C37 | C36 | 0.1° | 0.1° |
| C37 | C32 | C33 | C34 | 0.2° | 0.0° |
| C37 | C32 | C33 | H33 | 179.8° | 180.0° |
| C32 | C37 | C36 | C35 | 0.0° | 0.1° |
| C32 | C37 | C36 | H36 | 180.0° | 180.0° |
| H32 | C32 | C33 | C34 | 179.8° | 179.8° |
| H32 | C32 | C33 | H33 | 0.2° | 0.2° |
| H32 | C32 | C37 | C36 | 179.8° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 180.0° | 179.9° |
| H33 | C33 | C34 | C35 | 179.9° | 180.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.1° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| H34 | C34 | C35 | C36 | 180.0° | 180.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| H35 | C35 | C36 | C37 | 179.9° | 179.9° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| O38 | C39 | H39 | H39A | 120.0° | 120.0° |
| O38 | C39 | H39 | H39B | 120.0° | 120.0° |
| O38 | C39 | H39A | H39B | 120.0° | 120.1° |
| H39 | C39 | H39A | H39B | 120.0° | 119.9° |
| O40 | C41 | C42 | H41 | 120.0° | 119.9° |
| O40 | C41 | C42 | H41A | 120.0° | 120.0° |
| O40 | C41 | H41 | H41A | 120.0° | 120.1° |
| O40 | C41 | C42 | C43 | 46.9° | 89.0° |
| O40 | C41 | C42 | H42 | 73.1° | 151.0° |
| O40 | C41 | C42 | H42A | 160.7° | 31.0° |
| C42 | C41 | H41 | H41A | 120.0° | 120.0° |
| C41 | C42 | C43 | H42 | 120.0° | 120.0° |
| C41 | C42 | C43 | H42A | 113.8° | 120.0° |
| C41 | C42 | H42 | H42A | 114.9° | 120.0° |
| C41 | C42 | C43 | C44 | 118.5° | 106.5° |
| C41 | C42 | C43 | H43 | 61.5° | 73.6° |
| H41 | C41 | C42 | C43 | 166.9° | 30.9° |
| H41 | C41 | C42 | H42 | 46.9° | 89.1° |
| H41 | C41 | C42 | H42A | 79.3° | 150.9° |
| H41A | C41 | C42 | C43 | 73.1° | 151.0° |
| H41A | C41 | C42 | H42 | 167.0° | 31.0° |
| H41A | C41 | C42 | H42A | 40.8° | 89.0° |
| C43 | C42 | H42 | H42A | 115.0° | 120.0° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | H44 | 0.1° | 0.0° |
| H42 | C42 | C43 | C44 | 1.5° | 133.4° |
| H42 | C42 | C43 | H43 | 178.5° | 46.4° |
| H42A | C42 | C43 | C44 | 127.7° | 13.4° |
| H42A | C42 | C43 | H43 | 52.3° | 166.4° |
| H43 | C43 | C44 | H44 | 179.9° | 179.9° |
