DXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | CL2 | sing | 1.74Å | 1.82Å | |
| C33 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.47Å | Aromatic |
| C29 | CL1 | sing | 1.74Å | 1.82Å | |
| C28 | C26 | sing | 1.51Å | 1.48Å | |
| C1 | O1 | doub | 1.21Å | 1.28Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | N2 | sing | 1.47Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C26 | N25 | sing | 1.48Å | 1.32Å | |
| C26 | C22 | sing | 1.55Å | 1.50Å | |
| N2 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O21 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| N25 | O24 | sing | 1.47Å | 1.28Å | |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C3 | N7 | sing | 1.49Å | 1.48Å | |
| C3 | S4 | sing | 1.84Å | 1.78Å | |
| N7 | C6 | sing | 1.47Å | 1.47Å | |
| O81 | C8 | sing | 1.43Å | 1.42Å | |
| O24 | C23 | sing | 1.44Å | 1.44Å | |
| C23 | C27 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| S4 | C5 | sing | 1.84Å | 1.80Å | |
| C8 | O82 | sing | 1.43Å | 1.41Å | |
| C5 | C52 | sing | 1.53Å | 1.52Å | |
| C5 | C51 | sing | 1.53Å | 1.53Å | |
| C30 | H1 | sing | 1.08Å | 1.08Å | |
| C31 | H2 | sing | 1.08Å | 1.08Å | |
| C32 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| N25 | H5 | sing | 1.01Å | 1.00Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C52 | H15 | sing | 1.09Å | 1.10Å | |
| C52 | H16 | sing | 1.09Å | 1.10Å | |
| C52 | H17 | sing | 1.09Å | 1.10Å | |
| C51 | H18 | sing | 1.09Å | 1.10Å | |
| C51 | H19 | sing | 1.09Å | 1.10Å | |
| C51 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| N7 | H22 | sing | 1.01Å | 1.00Å | |
| O82 | H24 | sing | 0.97Å | 0.95Å | |
| O81 | H25 | sing | 0.97Å | 0.95Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 121.1° | 120.0° |
| C31 | C32 | C33 | 118.7° | 120.0° |
| C32 | C31 | H2 | 119.5° | 120.0° |
| C31 | C32 | H3 | 120.7° | 120.0° |
| C31 | C30 | C29 | 122.7° | 120.0° |
| C31 | C30 | H1 | 118.6° | 120.0° |
| C30 | C31 | H2 | 119.5° | 120.0° |
| C32 | C33 | CL2 | 115.3° | 120.0° |
| C32 | C33 | C28 | 121.5° | 120.0° |
| C33 | C32 | H3 | 120.6° | 120.0° |
| C30 | C29 | C28 | 115.4° | 120.0° |
| C30 | C29 | CL1 | 123.3° | 120.0° |
| C29 | C30 | H1 | 118.6° | 120.0° |
| CL2 | C33 | C28 | 123.1° | 120.0° |
| C33 | C28 | C29 | 120.5° | 120.0° |
| C33 | C28 | C26 | 124.5° | 120.0° |
| C28 | C29 | CL1 | 121.3° | 120.0° |
| C29 | C28 | C26 | 114.1° | 120.0° |
| C28 | C26 | N25 | 137.5° | 110.7° |
| C28 | C26 | C22 | 110.1° | 110.7° |
| C28 | C26 | H4 | 92.5° | 110.6° |
| O1 | C1 | C2 | 116.9° | 120.0° |
| O1 | C1 | H13 | 121.5° | 120.0° |
| C1 | C2 | N2 | 100.2° | 109.5° |
| C1 | C2 | C3 | 108.9° | 109.4° |
| C1 | C2 | H12 | 109.8° | 109.5° |
| C2 | C1 | H13 | 121.6° | 120.0° |
| N2 | C2 | C3 | 117.3° | 109.5° |
| C2 | N2 | C21 | 130.0° | 120.0° |
| C2 | N2 | H11 | 115.0° | 120.0° |
| N2 | C2 | H12 | 110.8° | 109.5° |
| C2 | C3 | N7 | 108.1° | 111.1° |
| C2 | C3 | S4 | 115.7° | 111.1° |
| C3 | C2 | H12 | 109.4° | 109.5° |
| C2 | C3 | H14 | 108.9° | 111.0° |
| N25 | C26 | C22 | 111.8° | 103.1° |
| C26 | N25 | O24 | 107.9° | 108.1° |
| N25 | C26 | H4 | 92.8° | 110.7° |
| C26 | N25 | H5 | 109.9° | 111.0° |
| C26 | C22 | C21 | 111.0° | 111.1° |
| C26 | C22 | C23 | 100.3° | 101.2° |
| C22 | C26 | H4 | 92.4° | 110.8° |
| C26 | C22 | H10 | 105.9° | 111.1° |
| N2 | C21 | O21 | 120.2° | 120.0° |
| N2 | C21 | C22 | 108.9° | 120.0° |
| C21 | N2 | H11 | 115.0° | 120.0° |
| O21 | C21 | C22 | 130.8° | 120.0° |
| C21 | C22 | C23 | 127.2° | 111.0° |
| C21 | C22 | H10 | 105.3° | 111.0° |
| N25 | O24 | C23 | 114.0° | 109.0° |
| O24 | N25 | H5 | 109.8° | 111.0° |
| C22 | C23 | O24 | 101.5° | 104.3° |
| C22 | C23 | C27 | 116.7° | 110.5° |
| C22 | C23 | H6 | 106.6° | 110.6° |
| C23 | C22 | H10 | 105.5° | 111.1° |
| N7 | C3 | S4 | 108.0° | 100.9° |
| C3 | N7 | C6 | 109.7° | 111.0° |
| N7 | C3 | H14 | 109.7° | 111.2° |
| C3 | N7 | H22 | 109.4° | 111.0° |
| C3 | S4 | C5 | 97.0° | 94.8° |
| S4 | C3 | H14 | 106.3° | 111.2° |
| N7 | C6 | C8 | 106.3° | 108.8° |
| N7 | C6 | C5 | 110.8° | 112.8° |
| N7 | C6 | H21 | 109.1° | 108.8° |
| C6 | N7 | H22 | 109.4° | 111.0° |
| O81 | C8 | C6 | 109.1° | 109.4° |
| O81 | C8 | O82 | 115.2° | 109.4° |
| C8 | O81 | H25 | 109.5° | 114.0° |
| O81 | C8 | H23 | 109.4° | 109.5° |
| O24 | C23 | C27 | 116.9° | 110.4° |
| O24 | C23 | H6 | 107.7° | 110.5° |
| C27 | C23 | H6 | 106.8° | 110.4° |
| C23 | C27 | H7 | 109.5° | 109.5° |
| C23 | C27 | H8 | 109.4° | 109.4° |
| C23 | C27 | H9 | 109.5° | 109.4° |
| C8 | C6 | C5 | 113.8° | 108.8° |
| C6 | C8 | O82 | 105.4° | 109.4° |
| C8 | C6 | H21 | 108.6° | 108.8° |
| C6 | C8 | H23 | 108.1° | 109.5° |
| C6 | C5 | S4 | 102.1° | 103.5° |
| C6 | C5 | C52 | 114.6° | 110.6° |
| C6 | C5 | C51 | 112.8° | 110.7° |
| C5 | C6 | H21 | 108.2° | 108.8° |
| S4 | C5 | C52 | 109.5° | 110.6° |
| S4 | C5 | C51 | 110.5° | 110.6° |
| C8 | O82 | H24 | 109.5° | 114.0° |
| O82 | C8 | H23 | 109.4° | 109.5° |
| C52 | C5 | C51 | 107.2° | 110.5° |
| C5 | C52 | H15 | 109.5° | 109.5° |
| C5 | C52 | H16 | 109.5° | 109.5° |
| C5 | C52 | H17 | 109.5° | 109.4° |
| C5 | C51 | H18 | 109.5° | 109.5° |
| C5 | C51 | H19 | 109.5° | 109.4° |
| C5 | C51 | H20 | 109.5° | 109.5° |
| H7 | C27 | H8 | 109.5° | 109.5° |
| H7 | C27 | H9 | 109.5° | 109.5° |
| H8 | C27 | H9 | 109.4° | 109.5° |
| H15 | C52 | H16 | 109.5° | 109.5° |
| H15 | C52 | H17 | 109.4° | 109.5° |
| H16 | C52 | H17 | 109.5° | 109.4° |
| H18 | C51 | H19 | 109.4° | 109.5° |
| H18 | C51 | H20 | 109.5° | 109.5° |
| H19 | C51 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H2 | 180.0° | 180.0° |
| C31 | C32 | C33 | H3 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.9° | 0.0° |
| C31 | C32 | C33 | CL2 | 179.1° | 180.0° |
| C31 | C32 | C33 | C28 | 2.6° | 0.1° |
| C32 | C31 | C30 | H1 | 179.1° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C31 | C30 | C29 | H1 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 1.3° | 0.0° |
| C31 | C30 | C29 | CL1 | 179.9° | 179.7° |
| C30 | C31 | C32 | H3 | 179.7° | 180.0° |
| C32 | C33 | CL2 | C28 | 176.4° | 179.9° |
| C32 | C33 | C28 | C29 | 4.9° | 0.0° |
| C32 | C33 | C28 | C26 | 173.2° | 179.8° |
| C33 | C32 | C31 | H2 | 179.7° | 180.0° |
| C30 | C29 | C28 | C33 | 4.1° | 0.0° |
| C30 | C29 | C28 | CL1 | 178.8° | 179.7° |
| C30 | C29 | C28 | C26 | 173.6° | 179.7° |
| C29 | C30 | C31 | H2 | 179.1° | 180.0° |
| CL2 | C33 | C28 | C29 | 178.9° | 180.0° |
| CL2 | C33 | C28 | C26 | 10.6° | 0.3° |
| CL2 | C33 | C32 | H3 | 0.9° | 0.0° |
| C33 | C28 | C29 | C26 | 169.5° | 179.7° |
| C33 | C28 | C29 | CL1 | 177.1° | 179.7° |
| C33 | C28 | C26 | N25 | 122.3° | 30.4° |
| C33 | C28 | C26 | C22 | 68.0° | 144.1° |
| C28 | C33 | C32 | H3 | 177.4° | 180.0° |
| C33 | C28 | C26 | H4 | 25.5° | 92.6° |
| C29 | C28 | C26 | N25 | 68.7° | 149.9° |
| C29 | C28 | C26 | C22 | 100.9° | 36.2° |
| C28 | C29 | C30 | H1 | 178.7° | 180.0° |
| C29 | C28 | C26 | H4 | 165.6° | 87.1° |
| CL1 | C29 | C28 | C26 | 7.6° | 0.0° |
| CL1 | C29 | C30 | H1 | 0.1° | 0.3° |
| C28 | C26 | N25 | C22 | 169.5° | 118.4° |
| C28 | C26 | N25 | H4 | 96.7° | 123.0° |
| C28 | C26 | C22 | H4 | 93.5° | 123.1° |
| C28 | C26 | C22 | C21 | 32.7° | 35.5° |
| C28 | C26 | N25 | O24 | 153.7° | 140.7° |
| C28 | C26 | C22 | C23 | 169.3° | 153.4° |
| C28 | C26 | N25 | H5 | 34.0° | 18.7° |
| C28 | C26 | C22 | H10 | 81.1° | 88.6° |
| O1 | C1 | C2 | H13 | 180.0° | 179.9° |
| O1 | C1 | C2 | N2 | 35.3° | 0.1° |
| O1 | C1 | C2 | C3 | 88.3° | 120.0° |
| O1 | C1 | C2 | H12 | 151.9° | 120.0° |
| C1 | C2 | N2 | C3 | 117.6° | 120.0° |
| C1 | C2 | N2 | H12 | 115.8° | 120.0° |
| C1 | C2 | C3 | H12 | 120.0° | 120.0° |
| C1 | C2 | N2 | C21 | 160.5° | 85.1° |
| C1 | C2 | C3 | N7 | 18.6° | 60.0° |
| C1 | C2 | C3 | S4 | 139.8° | 51.5° |
| C1 | C2 | N2 | H11 | 19.4° | 95.0° |
| C1 | C2 | C3 | H14 | 100.6° | 175.7° |
| N2 | C2 | C3 | H12 | 127.3° | 120.0° |
| C2 | N2 | C21 | H11 | 180.0° | 180.0° |
| C2 | N2 | C21 | O21 | 0.9° | 0.0° |
| C2 | N2 | C21 | C22 | 176.6° | 180.0° |
| N2 | C2 | C3 | N7 | 94.2° | 180.0° |
| N2 | C2 | C3 | S4 | 27.0° | 68.4° |
| N2 | C2 | C1 | H13 | 144.7° | 180.0° |
| N2 | C2 | C3 | H14 | 146.7° | 55.8° |
| C3 | C2 | N2 | C21 | 81.9° | 155.0° |
| C2 | C3 | N7 | S4 | 125.8° | 117.9° |
| C2 | C3 | N7 | H14 | 118.6° | 124.1° |
| C2 | C3 | S4 | H14 | 121.1° | 124.1° |
| C2 | C3 | N7 | C6 | 105.8° | 160.4° |
| C2 | C3 | S4 | C5 | 122.1° | 152.6° |
| C3 | C2 | N2 | H11 | 98.1° | 25.0° |
| C3 | C2 | C1 | H13 | 91.6° | 60.0° |
| C2 | C3 | N7 | H22 | 14.2° | 36.5° |
| N25 | C26 | C22 | H4 | 94.0° | 118.5° |
| N25 | C26 | C22 | C21 | 139.8° | 82.9° |
| C26 | N25 | O24 | H5 | 119.8° | 122.0° |
| N25 | C26 | C22 | C23 | 3.2° | 35.1° |
| C26 | N25 | O24 | C23 | 23.2° | 0.7° |
| N25 | C26 | C22 | H10 | 106.4° | 153.1° |
| C26 | C22 | C21 | N2 | 120.0° | 154.1° |
| C26 | C22 | C21 | O21 | 55.1° | 25.9° |
| C26 | C22 | C21 | C23 | 122.0° | 111.8° |
| C26 | C22 | C21 | H10 | 114.2° | 124.1° |
| C22 | C26 | N25 | O24 | 15.8° | 22.3° |
| C26 | C22 | C23 | H10 | 109.9° | 118.0° |
| C26 | C22 | C23 | O24 | 8.9° | 36.0° |
| C26 | C22 | C23 | C27 | 137.1° | 154.7° |
| C22 | C26 | N25 | H5 | 135.6° | 99.6° |
| C26 | C22 | C23 | H6 | 103.7° | 82.8° |
| N2 | C21 | O21 | C22 | 174.6° | 180.0° |
| N2 | C21 | C22 | C23 | 118.0° | 94.1° |
| N2 | C21 | C22 | H10 | 5.8° | 30.0° |
| C21 | N2 | C2 | H12 | 44.7° | 35.0° |
| O21 | C21 | C22 | C23 | 66.9° | 85.9° |
| O21 | C21 | C22 | H10 | 169.3° | 150.0° |
| O21 | C21 | N2 | H11 | 179.1° | 180.0° |
| C21 | C22 | C23 | H10 | 123.7° | 124.0° |
| C21 | C22 | C23 | O24 | 117.5° | 82.0° |
| C21 | C22 | C23 | C27 | 10.7° | 36.7° |
| C21 | C22 | C26 | H4 | 126.2° | 158.6° |
| C21 | C22 | C23 | H6 | 129.8° | 159.2° |
| C22 | C21 | N2 | H11 | 3.4° | 0.0° |
| N25 | O24 | C23 | C22 | 20.2° | 23.5° |
| N25 | O24 | C23 | C27 | 148.3° | 142.2° |
| O24 | N25 | C26 | H4 | 109.5° | 96.3° |
| N25 | O24 | C23 | H6 | 91.5° | 95.4° |
| C22 | C23 | O24 | C27 | 128.1° | 118.7° |
| C22 | C23 | O24 | H6 | 111.7° | 118.9° |
| C22 | C23 | C27 | H6 | 119.0° | 122.6° |
| C23 | C22 | C26 | H4 | 97.2° | 83.4° |
| C22 | C23 | C27 | H7 | 180.0° | 176.3° |
| C22 | C23 | C27 | H8 | 60.0° | 63.7° |
| C22 | C23 | C27 | H9 | 60.0° | 56.3° |
| N7 | C3 | S4 | H14 | 117.7° | 118.0° |
| C3 | N7 | C6 | H22 | 120.0° | 124.0° |
| C3 | N7 | C6 | C8 | 160.9° | 89.0° |
| C3 | N7 | C6 | C5 | 36.8° | 31.8° |
| N7 | C3 | S4 | C5 | 0.9° | 34.7° |
| N7 | C3 | C2 | H12 | 138.5° | 60.0° |
| C3 | N7 | C6 | H21 | 82.2° | 152.7° |
| S4 | C3 | N7 | C6 | 20.0° | 42.5° |
| C3 | S4 | C5 | C6 | 19.7° | 18.4° |
| C3 | S4 | C5 | C52 | 102.2° | 100.2° |
| C3 | S4 | C5 | C51 | 140.0° | 137.0° |
| S4 | C3 | C2 | H12 | 100.3° | 171.5° |
| S4 | C3 | N7 | H22 | 140.0° | 81.4° |
| N7 | C6 | C8 | O81 | 5.6° | 52.6° |
| N7 | C6 | C8 | C5 | 122.2° | 123.3° |
| N7 | C6 | C8 | H21 | 117.2° | 118.3° |
| N7 | C6 | C5 | H21 | 119.5° | 120.8° |
| N7 | C6 | C5 | S4 | 34.9° | 3.8° |
| N7 | C6 | C8 | O82 | 129.8° | 172.5° |
| N7 | C6 | C5 | C52 | 83.5° | 122.4° |
| N7 | C6 | C5 | C51 | 153.5° | 114.7° |
| C6 | N7 | C3 | H14 | 135.5° | 75.5° |
| N7 | C6 | C8 | H23 | 113.2° | 67.5° |
| O81 | C8 | C6 | O82 | 124.2° | 119.9° |
| O81 | C8 | C6 | H23 | 118.8° | 120.0° |
| O81 | C8 | C6 | C5 | 127.9° | 175.8° |
| O81 | C8 | O82 | H23 | 123.7° | 120.0° |
| O81 | C8 | C6 | H21 | 111.6° | 65.8° |
| O81 | C8 | O82 | H24 | 180.0° | 59.9° |
| O24 | C23 | C27 | H6 | 120.6° | 122.5° |
| C23 | O24 | N25 | H5 | 143.0° | 122.7° |
| O24 | C23 | C27 | H7 | 59.7° | 61.4° |
| O24 | C23 | C27 | H8 | 179.7° | 178.5° |
| O24 | C23 | C27 | H9 | 60.3° | 58.5° |
| O24 | C23 | C22 | H10 | 118.7° | 154.0° |
| C23 | C27 | H7 | H8 | 120.0° | 120.0° |
| C23 | C27 | H7 | H9 | 120.0° | 120.0° |
| C23 | C27 | H8 | H9 | 120.0° | 119.9° |
| C27 | C23 | C22 | H10 | 113.0° | 87.3° |
| C8 | C6 | C5 | H21 | 120.8° | 118.4° |
| C8 | C6 | C5 | S4 | 154.6° | 117.0° |
| C6 | C8 | O82 | H23 | 116.1° | 120.1° |
| C8 | C6 | C5 | C52 | 36.3° | 1.6° |
| C8 | C6 | C5 | C51 | 86.8° | 124.5° |
| C8 | C6 | N7 | H22 | 79.0° | 147.1° |
| C6 | C8 | O82 | H24 | 59.7° | 60.0° |
| C6 | C8 | O81 | H25 | 180.0° | 180.0° |
| C6 | C5 | S4 | C52 | 121.9° | 118.6° |
| C6 | C5 | S4 | C51 | 120.3° | 118.6° |
| C5 | C6 | C8 | O82 | 107.9° | 64.3° |
| C6 | C5 | C52 | C51 | 126.0° | 123.0° |
| C6 | C5 | C52 | H15 | 180.0° | 174.1° |
| C6 | C5 | C52 | H16 | 60.0° | 65.9° |
| C6 | C5 | C52 | H17 | 60.0° | 54.1° |
| C6 | C5 | C51 | H18 | 180.0° | 55.6° |
| C6 | C5 | C51 | H19 | 60.0° | 64.4° |
| C6 | C5 | C51 | H20 | 60.0° | 175.6° |
| C5 | C6 | N7 | H22 | 156.8° | 92.1° |
| C5 | C6 | C8 | H23 | 9.0° | 55.8° |
| S4 | C5 | C52 | C51 | 119.9° | 122.8° |
| C5 | S4 | C3 | H14 | 116.8° | 83.3° |
| S4 | C5 | C52 | H15 | 65.9° | 59.9° |
| S4 | C5 | C52 | H16 | 174.1° | 180.0° |
| S4 | C5 | C52 | H17 | 54.1° | 60.1° |
| S4 | C5 | C51 | H18 | 66.4° | 58.6° |
| S4 | C5 | C51 | H19 | 53.6° | 178.5° |
| S4 | C5 | C51 | H20 | 173.6° | 61.4° |
| S4 | C5 | C6 | H21 | 84.6° | 124.6° |
| O82 | C8 | C6 | H21 | 12.6° | 54.1° |
| O82 | C8 | O81 | H25 | 61.7° | 60.1° |
| C5 | C52 | H15 | H16 | 120.0° | 120.0° |
| C5 | C52 | H15 | H17 | 120.0° | 120.0° |
| C5 | C52 | H16 | H17 | 120.0° | 120.0° |
| C52 | C5 | C51 | H18 | 52.9° | 178.6° |
| C52 | C5 | C51 | H19 | 172.9° | 58.6° |
| C52 | C5 | C51 | H20 | 67.1° | 61.4° |
| C52 | C5 | C6 | H21 | 157.0° | 116.8° |
| C51 | C5 | C52 | H15 | 54.0° | 62.9° |
| C51 | C5 | C52 | H16 | 66.0° | 57.1° |
| C51 | C5 | C52 | H17 | 173.9° | 177.1° |
| C5 | C51 | H18 | H19 | 120.0° | 120.0° |
| C5 | C51 | H18 | H20 | 120.0° | 120.0° |
| C5 | C51 | H19 | H20 | 120.0° | 120.0° |
| C51 | C5 | C6 | H21 | 34.0° | 6.1° |
| H1 | C30 | C31 | H2 | 0.9° | 0.0° |
| H2 | C31 | C32 | H3 | 0.3° | 0.0° |
| H4 | C26 | N25 | H5 | 130.7° | 141.8° |
| H4 | C26 | C22 | H10 | 12.4° | 34.6° |
| H6 | C23 | C27 | H7 | 61.0° | 61.0° |
| H6 | C23 | C27 | H8 | 59.1° | 59.0° |
| H6 | C23 | C27 | H9 | 179.0° | 179.0° |
| H6 | C23 | C22 | H10 | 6.1° | 35.2° |
| H7 | C27 | H8 | H9 | 120.0° | 120.0° |
| H11 | N2 | C2 | H12 | 135.3° | 145.0° |
| H12 | C2 | C1 | H13 | 28.1° | 60.0° |
| H12 | C2 | C3 | H14 | 19.4° | 64.3° |
| H14 | C3 | N7 | H22 | 104.4° | 160.6° |
| H15 | C52 | H16 | H17 | 120.0° | 120.0° |
| H18 | C51 | H19 | H20 | 120.0° | 120.0° |
| H21 | C6 | N7 | H22 | 37.9° | 28.7° |
| H21 | C6 | C8 | H23 | 129.6° | 174.2° |
| H24 | O82 | C8 | H23 | 56.3° | 180.0° |
| H25 | O81 | C8 | H23 | 62.0° | 59.9° |
