G6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.29Å | 1.36Å | |
| C1 | C42 | sing | 1.50Å | 1.57Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.49Å | 1.54Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O18 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.52Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C41 | sing | 1.51Å | 1.58Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O5 | C41 | sing | 1.45Å | 1.47Å | |
| O5 | C13 | sing | 1.35Å | 1.37Å | |
| O17 | C6 | sing | 1.36Å | 1.39Å | |
| C13 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | N10 | sing | 1.47Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | N10 | sing | 1.49Å | 1.48Å | |
| N10 | C19 | sing | 1.47Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C42 | C12 | sing | 1.52Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C42 | C14 | sing | 1.50Å | 1.41Å | |
| C14 | C15 | doub | 1.37Å | 1.43Å | Aromatic |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | N25 | sing | 1.47Å | 1.48Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N25 | C26 | sing | 1.34Å | 1.36Å | |
| N25 | S33 | sing | 1.67Å | 1.59Å | |
| O34 | C26 | doub | 1.22Å | 1.23Å | |
| C26 | C27 | sing | 1.47Å | 1.44Å | |
| C27 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | C31 | sing | 1.37Å | 1.41Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| S33 | C32 | sing | 1.77Å | 1.77Å | |
| O35 | S33 | doub | 1.42Å | 1.50Å | |
| S33 | O36 | doub | 1.42Å | 1.50Å | |
| C41 | C42 | sing | 1.53Å | 1.59Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C42 | 125.6° | 124.9° |
| C2 | C1 | H1 | 117.2° | 117.5° |
| C1 | C2 | C3 | 122.3° | 124.1° |
| C1 | C2 | H2 | 118.8° | 118.0° |
| C42 | C1 | H1 | 117.2° | 117.5° |
| C1 | C42 | C12 | 108.7° | 110.7° |
| C1 | C42 | C14 | 107.2° | 109.6° |
| C1 | C42 | C41 | 111.2° | 112.4° |
| C3 | C2 | H2 | 118.8° | 117.9° |
| C2 | C3 | O18 | 108.3° | 109.0° |
| C2 | C3 | C4 | 110.4° | 112.0° |
| C2 | C3 | H3 | 110.5° | 109.0° |
| O18 | C3 | C4 | 111.7° | 109.0° |
| O18 | C3 | H3 | 109.0° | 108.9° |
| C3 | O18 | HO18 | 109.5° | 114.0° |
| C4 | C3 | H3 | 107.0° | 109.0° |
| C3 | C4 | C41 | 111.8° | 113.3° |
| C3 | C4 | H4 | 108.7° | 108.7° |
| C3 | C4 | H4A | 108.7° | 108.7° |
| C41 | C4 | H4 | 108.7° | 108.7° |
| C41 | C4 | H4A | 108.7° | 108.7° |
| C4 | C41 | O5 | 108.5° | 110.7° |
| C4 | C41 | C42 | 113.8° | 113.8° |
| C4 | C41 | H41 | 105.8° | 109.8° |
| H4 | C4 | H4A | 110.2° | 108.5° |
| C41 | O5 | C13 | 105.6° | 108.3° |
| O5 | C41 | C42 | 104.6° | 102.3° |
| O5 | C41 | H41 | 114.8° | 109.9° |
| O5 | C13 | C6 | 129.8° | 130.7° |
| O5 | C13 | C14 | 110.6° | 110.6° |
| O17 | C6 | C13 | 118.4° | 121.4° |
| O17 | C6 | C7 | 121.8° | 121.4° |
| C6 | O17 | C16 | 114.6° | 117.0° |
| C13 | C6 | C7 | 119.6° | 117.3° |
| C6 | C13 | C14 | 119.6° | 118.7° |
| C6 | C7 | C8 | 120.2° | 122.6° |
| C6 | C7 | H7 | 119.9° | 118.7° |
| C8 | C7 | H7 | 119.9° | 118.6° |
| C7 | C8 | C15 | 120.8° | 120.4° |
| C7 | C8 | H8 | 119.6° | 119.8° |
| C15 | C8 | H8 | 119.6° | 119.8° |
| C8 | C15 | C9 | 116.6° | 122.3° |
| C8 | C15 | C14 | 117.9° | 116.9° |
| C15 | C9 | N10 | 112.4° | 110.2° |
| C15 | C9 | H9 | 108.5° | 109.1° |
| C15 | C9 | H9A | 108.5° | 109.5° |
| C9 | C15 | C14 | 125.4° | 120.7° |
| N10 | C9 | H9 | 108.5° | 109.4° |
| N10 | C9 | H9A | 108.5° | 109.4° |
| C9 | N10 | C11 | 115.3° | 113.3° |
| C9 | N10 | C19 | 117.4° | 111.0° |
| H9 | C9 | H9A | 110.4° | 109.3° |
| C11 | N10 | C19 | 112.2° | 110.9° |
| N10 | C11 | C12 | 110.8° | 111.6° |
| N10 | C11 | H11 | 109.0° | 109.1° |
| N10 | C11 | H11A | 109.0° | 109.1° |
| N10 | C19 | C20 | 114.5° | 109.5° |
| N10 | C19 | H19 | 107.8° | 109.4° |
| N10 | C19 | H19A | 107.8° | 109.5° |
| C12 | C11 | H11 | 109.0° | 109.2° |
| C12 | C11 | H11A | 109.0° | 108.8° |
| C11 | C12 | C42 | 112.6° | 108.0° |
| C11 | C12 | H12 | 108.4° | 109.8° |
| C11 | C12 | H12A | 108.4° | 109.7° |
| H11 | C11 | H11A | 109.9° | 109.0° |
| C42 | C12 | H12 | 108.4° | 109.8° |
| C42 | C12 | H12A | 108.5° | 109.7° |
| C12 | C42 | C14 | 124.0° | 108.2° |
| C12 | C42 | C41 | 105.3° | 114.4° |
| H12 | C12 | H12A | 110.5° | 109.8° |
| C13 | C14 | C42 | 112.6° | 106.7° |
| C13 | C14 | C15 | 121.9° | 123.9° |
| C42 | C14 | C15 | 125.5° | 129.4° |
| C14 | C42 | C41 | 99.9° | 100.9° |
| O17 | C16 | H16 | 109.5° | 109.5° |
| O17 | C16 | H16A | 109.5° | 109.5° |
| O17 | C16 | H16B | 109.4° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| C20 | C19 | H19 | 107.8° | 109.5° |
| C20 | C19 | H19A | 107.8° | 109.5° |
| C19 | C20 | C21 | 110.1° | 109.4° |
| C19 | C20 | H20 | 109.3° | 109.4° |
| C19 | C20 | H20A | 109.3° | 109.5° |
| H19 | C19 | H19A | 111.1° | 109.4° |
| C21 | C20 | H20 | 109.3° | 109.5° |
| C21 | C20 | H20A | 109.3° | 109.5° |
| C20 | C21 | C22 | 112.8° | 109.4° |
| C20 | C21 | H21 | 108.4° | 109.5° |
| C20 | C21 | H21A | 108.4° | 109.5° |
| H20 | C20 | H20A | 109.6° | 109.5° |
| C22 | C21 | H21 | 108.4° | 109.5° |
| C22 | C21 | H21A | 108.4° | 109.4° |
| C21 | C22 | C23 | 114.5° | 109.5° |
| C21 | C22 | H22 | 107.8° | 109.5° |
| C21 | C22 | H22A | 107.8° | 109.5° |
| H21 | C21 | H21A | 110.5° | 109.5° |
| C23 | C22 | H22 | 107.9° | 109.5° |
| C23 | C22 | H22A | 107.8° | 109.5° |
| C22 | C23 | C24 | 112.0° | 109.5° |
| C22 | C23 | H23 | 108.6° | 109.5° |
| C22 | C23 | H23A | 108.7° | 109.5° |
| H22 | C22 | H22A | 111.1° | 109.4° |
| C24 | C23 | H23 | 108.7° | 109.5° |
| C24 | C23 | H23A | 108.6° | 109.4° |
| C23 | C24 | N25 | 109.7° | 109.5° |
| C23 | C24 | H24 | 109.4° | 109.5° |
| C23 | C24 | H24A | 109.4° | 109.5° |
| H23 | C23 | H23A | 110.2° | 109.5° |
| N25 | C24 | H24 | 109.4° | 109.4° |
| N25 | C24 | H24A | 109.4° | 109.5° |
| C24 | N25 | C26 | 121.7° | 127.0° |
| C24 | N25 | S33 | 123.3° | 127.1° |
| H24 | C24 | H24A | 109.6° | 109.4° |
| C26 | N25 | S33 | 114.8° | 105.9° |
| N25 | C26 | O34 | 124.2° | 121.0° |
| N25 | C26 | C27 | 111.2° | 118.0° |
| N25 | S33 | C32 | 94.4° | 99.8° |
| N25 | S33 | O35 | 112.4° | 107.5° |
| N25 | S33 | O36 | 108.6° | 107.5° |
| O34 | C26 | C27 | 124.6° | 121.0° |
| C26 | C27 | C32 | 112.4° | 112.4° |
| C26 | C27 | C28 | 129.3° | 130.0° |
| C32 | C27 | C28 | 118.1° | 117.5° |
| C27 | C32 | C31 | 121.2° | 122.0° |
| C27 | C32 | S33 | 106.4° | 103.9° |
| C27 | C28 | C29 | 121.0° | 120.3° |
| C27 | C28 | H28 | 119.5° | 119.8° |
| C29 | C28 | H28 | 119.5° | 119.8° |
| C28 | C29 | C30 | 120.1° | 120.9° |
| C28 | C29 | H29 | 120.0° | 119.6° |
| C30 | C29 | H29 | 120.0° | 119.6° |
| C29 | C30 | C31 | 119.5° | 119.6° |
| C29 | C30 | H30 | 120.3° | 120.2° |
| C31 | C30 | H30 | 120.3° | 120.2° |
| C30 | C31 | C32 | 120.2° | 119.7° |
| C30 | C31 | H31 | 119.9° | 120.1° |
| C32 | C31 | H31 | 119.9° | 120.2° |
| C31 | C32 | S33 | 132.3° | 134.2° |
| C32 | S33 | O35 | 120.4° | 107.4° |
| C32 | S33 | O36 | 111.4° | 107.6° |
| O35 | S33 | O36 | 108.6° | 124.2° |
| C42 | C41 | H41 | 109.6° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C42 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | O18 | 94.8° | 104.2° |
| C1 | C2 | C3 | C4 | 27.8° | 16.4° |
| C1 | C2 | C3 | H3 | 145.8° | 137.1° |
| C2 | C1 | C42 | C12 | 112.6° | 120.0° |
| C2 | C1 | C42 | C14 | 111.1° | 120.7° |
| C2 | C1 | C42 | C41 | 3.0° | 9.3° |
| C42 | C1 | C2 | C3 | 2.6° | 0.4° |
| C42 | C1 | C2 | H2 | 177.4° | 179.5° |
| C1 | C42 | C41 | C4 | 28.9° | 34.6° |
| C1 | C42 | C41 | O5 | 89.3° | 85.0° |
| C1 | C42 | C12 | C11 | 62.9° | 31.9° |
| C1 | C42 | C12 | C14 | 127.2° | 120.2° |
| C1 | C42 | C12 | C41 | 119.3° | 128.2° |
| C1 | C42 | C12 | H12 | 57.1° | 87.8° |
| C1 | C42 | C12 | H12A | 177.1° | 151.5° |
| C1 | C42 | C14 | C13 | 102.3° | 95.7° |
| C1 | C42 | C14 | C41 | 115.9° | 118.8° |
| C1 | C42 | C14 | C15 | 80.8° | 85.2° |
| C1 | C42 | C41 | H41 | 147.1° | 158.3° |
| H1 | C1 | C2 | C3 | 177.5° | 179.8° |
| H1 | C1 | C2 | H2 | 2.5° | 0.3° |
| H1 | C1 | C42 | C12 | 67.4° | 59.9° |
| H1 | C1 | C42 | C14 | 68.9° | 59.4° |
| H1 | C1 | C42 | C41 | 177.0° | 170.8° |
| C2 | C3 | O18 | C4 | 121.8° | 122.5° |
| C2 | C3 | O18 | H3 | 120.2° | 118.8° |
| C2 | C3 | C4 | H3 | 120.2° | 120.6° |
| C2 | C3 | C4 | C41 | 52.9° | 41.3° |
| C2 | C3 | C4 | H4 | 172.9° | 162.4° |
| C2 | C3 | C4 | H4A | 67.1° | 79.6° |
| C2 | C3 | O18 | HO18 | 180.0° | 59.9° |
| H2 | C2 | C3 | O18 | 85.2° | 75.9° |
| H2 | C2 | C3 | C4 | 152.2° | 163.5° |
| H2 | C2 | C3 | H3 | 34.2° | 42.8° |
| O18 | C3 | C4 | H3 | 119.2° | 118.7° |
| O18 | C3 | C4 | C41 | 67.7° | 79.3° |
| O18 | C3 | C4 | H4 | 52.4° | 41.7° |
| O18 | C3 | C4 | H4A | 172.3° | 159.7° |
| C3 | C4 | C41 | H4 | 120.0° | 121.0° |
| C3 | C4 | C41 | H4A | 120.0° | 121.0° |
| C3 | C4 | H4 | H4A | 119.0° | 118.1° |
| C3 | C4 | C41 | O5 | 60.4° | 62.8° |
| C4 | C3 | O18 | HO18 | 58.3° | 177.6° |
| C3 | C4 | C41 | C42 | 55.5° | 51.8° |
| C3 | C4 | C41 | H41 | 175.9° | 175.7° |
| H3 | C3 | C4 | C41 | 173.1° | 162.0° |
| H3 | C3 | C4 | H4 | 66.9° | 77.0° |
| H3 | C3 | C4 | H4A | 53.1° | 41.0° |
| H3 | C3 | O18 | HO18 | 59.7° | 58.8° |
| C41 | C4 | H4 | H4A | 119.1° | 118.1° |
| C4 | C41 | O5 | C42 | 121.7° | 121.7° |
| C4 | C41 | O5 | H41 | 118.1° | 121.5° |
| C4 | C41 | O5 | C13 | 147.5° | 152.8° |
| C4 | C41 | C42 | C12 | 88.7° | 92.8° |
| C4 | C41 | C42 | C14 | 141.8° | 151.3° |
| C4 | C41 | C42 | H41 | 118.2° | 123.8° |
| H4 | C4 | C41 | O5 | 59.6° | 58.2° |
| H4 | C4 | C41 | C42 | 175.5° | 172.9° |
| H4 | C4 | C41 | H41 | 64.1° | 63.3° |
| H4A | C4 | C41 | O5 | 179.7° | 176.2° |
| H4A | C4 | C41 | C42 | 64.4° | 69.1° |
| H4A | C4 | C41 | H41 | 56.0° | 54.7° |
| C41 | O5 | C13 | C6 | 160.4° | 163.4° |
| O5 | C41 | C42 | C12 | 153.1° | 147.7° |
| C41 | O5 | C13 | C14 | 18.2° | 17.1° |
| O5 | C41 | C42 | C14 | 23.6° | 31.8° |
| O5 | C41 | C42 | H41 | 123.6° | 116.7° |
| O5 | C13 | C6 | O17 | 4.0° | 1.7° |
| O5 | C13 | C6 | C14 | 178.5° | 179.5° |
| O5 | C13 | C6 | C7 | 179.7° | 178.3° |
| O5 | C13 | C14 | C42 | 1.9° | 4.8° |
| O5 | C13 | C14 | C15 | 179.0° | 174.3° |
| C13 | O5 | C41 | C42 | 25.8° | 31.1° |
| C13 | O5 | C41 | H41 | 94.4° | 85.7° |
| O17 | C6 | C13 | C7 | 175.6° | 180.0° |
| O17 | C6 | C7 | C8 | 174.6° | 179.0° |
| O17 | C6 | C7 | H7 | 5.5° | 1.1° |
| O17 | C6 | C13 | C14 | 174.5° | 177.7° |
| C6 | O17 | C16 | H16 | 180.0° | 180.0° |
| C6 | O17 | C16 | H16A | 60.0° | 60.0° |
| C6 | O17 | C16 | H16B | 60.0° | 60.0° |
| C13 | C6 | C7 | C8 | 0.9° | 1.0° |
| C13 | C6 | C7 | H7 | 179.1° | 178.9° |
| C6 | C13 | C14 | C42 | 176.9° | 174.7° |
| C6 | C13 | C14 | C15 | 0.2° | 6.1° |
| C13 | C6 | O17 | C16 | 154.8° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C15 | 0.2° | 0.8° |
| C6 | C7 | C8 | H8 | 179.8° | 179.1° |
| C7 | C6 | C13 | C14 | 1.1° | 2.2° |
| C7 | C6 | O17 | C16 | 29.7° | 0.0° |
| C7 | C8 | C15 | H8 | 180.0° | 179.9° |
| C7 | C8 | C15 | C9 | 175.7° | 173.0° |
| C7 | C8 | C15 | C14 | 1.1° | 2.7° |
| H7 | C7 | C8 | C15 | 179.8° | 179.1° |
| H7 | C7 | C8 | H8 | 0.1° | 1.0° |
| C8 | C15 | C9 | C14 | 176.5° | 175.6° |
| C8 | C15 | C9 | N10 | 129.4° | 135.0° |
| C8 | C15 | C9 | H9 | 110.6° | 104.9° |
| C8 | C15 | C9 | H9A | 9.4° | 14.7° |
| C8 | C15 | C14 | C13 | 0.9° | 6.3° |
| C8 | C15 | C14 | C42 | 177.6° | 174.8° |
| H8 | C8 | C15 | C9 | 4.3° | 6.9° |
| H8 | C8 | C15 | C14 | 179.0° | 177.4° |
| C15 | C9 | N10 | H9 | 120.0° | 119.9° |
| C15 | C9 | N10 | H9A | 120.0° | 120.4° |
| C15 | C9 | H9 | H9A | 118.8° | 119.7° |
| C15 | C9 | N10 | C11 | 79.8° | 89.9° |
| C15 | C9 | N10 | C19 | 56.0° | 144.6° |
| C9 | C15 | C14 | C13 | 175.5° | 169.5° |
| C9 | C15 | C14 | C42 | 1.2° | 9.4° |
| N10 | C9 | H9 | H9A | 118.8° | 119.7° |
| C9 | N10 | C11 | C19 | 138.0° | 125.6° |
| C9 | N10 | C11 | C12 | 83.5° | 34.2° |
| C9 | N10 | C11 | H11 | 36.5° | 154.9° |
| C9 | N10 | C11 | H11A | 156.5° | 86.1° |
| N10 | C9 | C15 | C14 | 47.1° | 49.4° |
| C9 | N10 | C19 | C20 | 64.1° | 66.0° |
| C9 | N10 | C19 | H19 | 55.9° | 53.9° |
| C9 | N10 | C19 | H19A | 175.9° | 173.9° |
| H9 | C9 | N10 | C11 | 40.2° | 30.0° |
| H9 | C9 | N10 | C19 | 176.0° | 95.5° |
| H9 | C9 | C15 | C14 | 72.9° | 70.6° |
| H9A | C9 | N10 | C11 | 160.2° | 149.7° |
| H9A | C9 | N10 | C19 | 64.0° | 24.2° |
| H9A | C9 | C15 | C14 | 167.1° | 169.7° |
| N10 | C11 | C12 | H11 | 120.0° | 120.7° |
| N10 | C11 | C12 | H11A | 120.0° | 120.4° |
| N10 | C11 | H11 | H11A | 119.4° | 119.0° |
| N10 | C11 | C12 | C42 | 67.9° | 60.4° |
| N10 | C11 | C12 | H12 | 172.1° | 179.9° |
| N10 | C11 | C12 | H12A | 52.1° | 59.2° |
| C11 | N10 | C19 | C20 | 158.9° | 167.1° |
| C11 | N10 | C19 | H19 | 81.1° | 73.0° |
| C11 | N10 | C19 | H19A | 38.9° | 47.0° |
| C19 | N10 | C11 | C12 | 54.5° | 159.8° |
| C19 | N10 | C11 | H11 | 174.6° | 79.5° |
| C19 | N10 | C11 | H11A | 65.5° | 39.5° |
| N10 | C19 | C20 | H19 | 120.0° | 120.0° |
| N10 | C19 | C20 | H19A | 120.0° | 120.1° |
| N10 | C19 | H19 | H19A | 117.9° | 120.0° |
| N10 | C19 | C20 | C21 | 95.3° | 180.0° |
| N10 | C19 | C20 | H20 | 144.7° | 60.0° |
| N10 | C19 | C20 | H20A | 24.7° | 60.0° |
| C12 | C11 | H11 | H11A | 119.4° | 118.8° |
| C11 | C12 | C42 | H12 | 120.0° | 119.7° |
| C11 | C12 | C42 | H12A | 120.0° | 119.6° |
| C11 | C12 | H12 | H12A | 118.7° | 120.7° |
| C11 | C12 | C42 | C14 | 64.3° | 88.2° |
| C11 | C12 | C42 | C41 | 177.8° | 160.2° |
| H11 | C11 | C12 | C42 | 52.1° | 60.3° |
| H11 | C11 | C12 | H12 | 67.9° | 59.4° |
| H11 | C11 | C12 | H12A | 172.2° | 179.9° |
| H11A | C11 | C12 | C42 | 172.1° | 179.2° |
| H11A | C11 | C12 | H12 | 52.1° | 59.5° |
| H11A | C11 | C12 | H12A | 67.9° | 61.2° |
| C42 | C12 | H12 | H12A | 118.7° | 120.7° |
| C12 | C42 | C14 | C13 | 129.9° | 143.4° |
| C12 | C42 | C14 | C41 | 116.2° | 120.4° |
| C12 | C42 | C14 | C15 | 47.1° | 35.6° |
| C12 | C42 | C41 | H41 | 29.5° | 31.0° |
| H12 | C12 | C42 | C14 | 175.7° | 152.1° |
| H12 | C12 | C42 | C41 | 62.2° | 40.5° |
| H12A | C12 | C42 | C14 | 55.7° | 31.4° |
| H12A | C12 | C42 | C41 | 57.8° | 80.2° |
| C13 | C14 | C42 | C15 | 177.0° | 179.1° |
| C13 | C14 | C42 | C41 | 13.7° | 23.0° |
| C14 | C42 | C41 | H41 | 100.0° | 84.9° |
| C15 | C14 | C42 | C41 | 163.3° | 156.1° |
| O17 | C16 | H16 | H16A | 120.0° | 120.0° |
| O17 | C16 | H16 | H16B | 120.0° | 120.0° |
| O17 | C16 | H16A | H16B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| C20 | C19 | H19 | H19A | 117.9° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 119.8° | 120.0° |
| C19 | C20 | C21 | C22 | 154.0° | 180.0° |
| C19 | C20 | C21 | H21 | 86.0° | 60.0° |
| C19 | C20 | C21 | H21A | 34.0° | 60.0° |
| H19 | C19 | C20 | C21 | 24.7° | 60.0° |
| H19 | C19 | C20 | H20 | 95.3° | 180.0° |
| H19 | C19 | C20 | H20A | 144.7° | 60.0° |
| H19A | C19 | C20 | C21 | 144.7° | 60.0° |
| H19A | C19 | C20 | H20 | 24.7° | 60.0° |
| H19A | C19 | C20 | H20A | 95.3° | 180.0° |
| C21 | C20 | H20 | H20A | 119.8° | 120.1° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21A | 118.6° | 120.1° |
| C20 | C21 | C22 | C23 | 73.8° | 180.0° |
| C20 | C21 | C22 | H22 | 166.2° | 59.9° |
| C20 | C21 | C22 | H22A | 46.2° | 60.0° |
| H20 | C20 | C21 | C22 | 34.0° | 60.0° |
| H20 | C20 | C21 | H21 | 154.0° | 180.0° |
| H20 | C20 | C21 | H21A | 86.0° | 59.9° |
| H20A | C20 | C21 | C22 | 86.0° | 60.0° |
| H20A | C20 | C21 | H21 | 34.0° | 59.9° |
| H20A | C20 | C21 | H21A | 154.0° | 180.0° |
| C22 | C21 | H21 | H21A | 118.6° | 120.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.1° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22A | 118.0° | 120.0° |
| C21 | C22 | C23 | C24 | 63.8° | 180.0° |
| C21 | C22 | C23 | H23 | 176.2° | 60.0° |
| C21 | C22 | C23 | H23A | 56.2° | 60.0° |
| H21 | C21 | C22 | C23 | 46.2° | 60.0° |
| H21 | C21 | C22 | H22 | 73.8° | 180.0° |
| H21 | C21 | C22 | H22A | 166.2° | 60.0° |
| H21A | C21 | C22 | C23 | 166.2° | 60.0° |
| H21A | C21 | C22 | H22 | 46.2° | 60.0° |
| H21A | C21 | C22 | H22A | 73.8° | 180.0° |
| C23 | C22 | H22 | H22A | 118.0° | 119.9° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23A | 119.0° | 120.0° |
| C22 | C23 | C24 | N25 | 168.5° | 180.0° |
| C22 | C23 | C24 | H24 | 71.5° | 60.0° |
| C22 | C23 | C24 | H24A | 48.5° | 60.0° |
| H22 | C22 | C23 | C24 | 56.2° | 59.9° |
| H22 | C22 | C23 | H23 | 63.8° | 179.9° |
| H22 | C22 | C23 | H23A | 176.2° | 60.0° |
| H22A | C22 | C23 | C24 | 176.2° | 60.0° |
| H22A | C22 | C23 | H23 | 56.2° | 60.0° |
| H22A | C22 | C23 | H23A | 63.8° | 179.9° |
| C24 | C23 | H23 | H23A | 118.9° | 120.0° |
| C23 | C24 | N25 | H24 | 120.0° | 120.0° |
| C23 | C24 | N25 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 119.9° | 120.0° |
| C23 | C24 | N25 | C26 | 101.3° | 85.0° |
| C23 | C24 | N25 | S33 | 83.4° | 95.3° |
| H23 | C23 | C24 | N25 | 48.4° | 60.0° |
| H23 | C23 | C24 | H24 | 168.4° | NaN° |
| H23 | C23 | C24 | H24A | 71.5° | 60.0° |
| H23A | C23 | C24 | N25 | 71.5° | 60.0° |
| H23A | C23 | C24 | H24 | 48.5° | 60.0° |
| H23A | C23 | C24 | H24A | 168.5° | 180.0° |
| N25 | C24 | H24 | H24A | 119.9° | 120.0° |
| C24 | N25 | C26 | S33 | 175.6° | 179.8° |
| C24 | N25 | C26 | O34 | 5.8° | 0.0° |
| C24 | N25 | C26 | C27 | 172.6° | 180.0° |
| C24 | N25 | S33 | C32 | 168.7° | 179.9° |
| C24 | N25 | S33 | O35 | 43.2° | 67.9° |
| C24 | N25 | S33 | O36 | 77.0° | 68.0° |
| H24 | C24 | N25 | C26 | 138.7° | 35.0° |
| H24 | C24 | N25 | S33 | 36.6° | 144.7° |
| H24A | C24 | N25 | C26 | 18.7° | 155.0° |
| H24A | C24 | N25 | S33 | 156.6° | 24.8° |
| N25 | C26 | O34 | C27 | 178.1° | 180.0° |
| N25 | C26 | C27 | C32 | 3.9° | 0.0° |
| N25 | C26 | C27 | C28 | 178.8° | 180.0° |
| C26 | N25 | S33 | C32 | 6.9° | 0.3° |
| C26 | N25 | S33 | O35 | 132.3° | 112.3° |
| C26 | N25 | S33 | O36 | 107.5° | 111.8° |
| S33 | N25 | C26 | O34 | 178.6° | 179.8° |
| S33 | N25 | C26 | C27 | 3.0° | 0.2° |
| N25 | S33 | C32 | C27 | 8.5° | 0.3° |
| N25 | S33 | C32 | C31 | 174.9° | 179.9° |
| N25 | S33 | C32 | O35 | 119.2° | 112.0° |
| N25 | S33 | C32 | O36 | 112.0° | 112.0° |
| N25 | S33 | O35 | O36 | 120.2° | 126.6° |
| O34 | C26 | C27 | C32 | 174.4° | 180.0° |
| O34 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C27 | C32 | C28 | 175.6° | 180.0° |
| C26 | C27 | C28 | C29 | 174.2° | 180.0° |
| C26 | C27 | C28 | H28 | 5.8° | 0.0° |
| C26 | C27 | C32 | C31 | 174.9° | 180.0° |
| C26 | C27 | C32 | S33 | 8.1° | 0.2° |
| C32 | C27 | C28 | C29 | 0.5° | 0.0° |
| C32 | C27 | C28 | H28 | 179.5° | 180.0° |
| C27 | C32 | C31 | C30 | 0.5° | 0.0° |
| C27 | C32 | C31 | S33 | 176.1° | 179.7° |
| C27 | C32 | C31 | H31 | 179.5° | 180.0° |
| C27 | C32 | S33 | O35 | 127.7° | 112.3° |
| C27 | C32 | S33 | O36 | 103.4° | 111.7° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C27 | C28 | C29 | H29 | 180.0° | 179.9° |
| C28 | C27 | C32 | C31 | 0.7° | 0.0° |
| C28 | C27 | C32 | S33 | 176.3° | 179.8° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.2° | 0.1° |
| C28 | C29 | C30 | H30 | 179.8° | 180.0° |
| H28 | C28 | C29 | C30 | 179.9° | 180.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | H31 | 180.0° | 180.0° |
| H29 | C29 | C30 | C31 | 179.8° | 179.9° |
| H29 | C29 | C30 | H30 | 0.2° | 0.1° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | S33 | 175.7° | 179.7° |
| H30 | C30 | C31 | C32 | 180.0° | 180.0° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
| C31 | C32 | S33 | O35 | 55.7° | 67.9° |
| C31 | C32 | S33 | O36 | 73.1° | 68.1° |
| H31 | C31 | C32 | S33 | 4.3° | 0.3° |
| C32 | S33 | O35 | O36 | 130.1° | 126.7° |
