JDC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3B | C3A | sing | 1.53Å | 1.48Å | |
| C3A | C3D | sing | 1.53Å | 1.58Å | |
| C3A | C2A | sing | 1.53Å | 1.54Å | |
| C4D | C2A | sing | 1.53Å | 1.52Å | |
| C4D | N11 | sing | 1.47Å | 1.54Å | |
| C2A | N2A | sing | 1.47Å | 1.42Å | |
| N2A | C1A | sing | 1.35Å | 1.45Å | |
| C61 | N11 | sing | 1.47Å | 1.45Å | |
| C61 | C51 | sing | 1.53Å | 1.49Å | |
| N11 | C21 | sing | 1.47Å | 1.45Å | |
| C1A | C3 | sing | 1.51Å | 1.52Å | |
| C1A | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.42Å | |
| C4 | C4A | sing | 1.51Å | 1.51Å | |
| C5 | C4A | doub | 1.39Å | 1.45Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C4A | C8A | sing | 1.38Å | 1.33Å | Aromatic |
| C21 | C31 | sing | 1.53Å | 1.48Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C51 | C41 | sing | 1.53Å | 1.44Å | |
| C8A | C1 | sing | 1.51Å | 1.47Å | |
| C8A | C8 | doub | 1.39Å | 1.46Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.41Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | O7 | sing | 1.36Å | 1.35Å | |
| C4E | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C31 | sing | 1.53Å | 1.46Å | |
| C41 | C1C | sing | 1.51Å | 1.53Å | |
| C31 | C34 | sing | 1.53Å | 1.58Å | |
| C1C | C6C | doub | 1.38Å | 1.43Å | Aromatic |
| C1C | C2C | sing | 1.38Å | 1.40Å | Aromatic |
| C6C | C5C | sing | 1.38Å | 1.41Å | Aromatic |
| C2C | C3C | doub | 1.39Å | 1.41Å | Aromatic |
| C5C | C4C | doub | 1.38Å | 1.39Å | Aromatic |
| C3C | C4C | sing | 1.39Å | 1.44Å | Aromatic |
| C3C | O3C | sing | 1.36Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 1.01Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N2A | H12 | sing | 0.97Å | 1.00Å | |
| C2A | H13 | sing | 1.09Å | 1.10Å | |
| C3A | H14 | sing | 1.09Å | 1.10Å | |
| C3D | H15 | sing | 1.09Å | 1.10Å | |
| C3D | H16 | sing | 1.09Å | 1.10Å | |
| C3D | H17 | sing | 1.09Å | 1.10Å | |
| C3B | H18 | sing | 1.09Å | 1.10Å | |
| C3B | H19 | sing | 1.09Å | 1.10Å | |
| C3B | H20 | sing | 1.09Å | 1.10Å | |
| C4D | H21 | sing | 1.09Å | 1.10Å | |
| C4D | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C51 | H30 | sing | 1.09Å | 1.10Å | |
| C51 | H31 | sing | 1.09Å | 1.10Å | |
| C61 | H32 | sing | 1.09Å | 1.10Å | |
| C61 | H33 | sing | 1.09Å | 1.10Å | |
| C4E | H34 | sing | 1.09Å | 1.10Å | |
| C4E | H35 | sing | 1.09Å | 1.10Å | |
| C4E | H36 | sing | 1.09Å | 1.10Å | |
| C2C | H37 | sing | 1.08Å | 1.08Å | |
| O3C | H38 | sing | 0.97Å | 0.95Å | |
| C4C | H39 | sing | 1.08Å | 1.08Å | |
| C5C | H40 | sing | 1.08Å | 1.08Å | |
| C6C | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3B | C3A | C3D | 113.4° | 109.5° |
| C3B | C3A | C2A | 115.5° | 109.5° |
| C3B | C3A | H14 | 105.5° | 109.5° |
| C3A | C3B | H18 | 109.5° | 109.5° |
| C3A | C3B | H19 | 109.5° | 109.5° |
| C3A | C3B | H20 | 109.4° | 109.5° |
| C3D | C3A | C2A | 111.9° | 109.5° |
| C3D | C3A | H14 | 104.4° | 109.4° |
| C3A | C3D | H15 | 109.5° | 109.5° |
| C3A | C3D | H16 | 109.5° | 109.5° |
| C3A | C3D | H17 | 109.5° | 109.5° |
| C3A | C2A | C4D | 111.8° | 109.5° |
| C3A | C2A | N2A | 104.4° | 109.5° |
| C3A | C2A | H13 | 108.5° | 109.5° |
| C2A | C3A | H14 | 104.9° | 109.5° |
| C2A | C4D | N11 | 117.4° | 109.5° |
| C4D | C2A | N2A | 113.2° | 109.5° |
| C4D | C2A | H13 | 108.7° | 109.5° |
| C2A | C4D | H21 | 107.4° | 109.5° |
| C2A | C4D | H22 | 107.4° | 109.5° |
| C4D | N11 | C61 | 123.4° | 111.0° |
| C4D | N11 | C21 | 113.2° | 111.0° |
| N11 | C4D | H21 | 107.5° | 109.4° |
| N11 | C4D | H22 | 107.5° | 109.4° |
| C2A | N2A | C1A | 120.1° | 120.0° |
| C2A | N2A | H12 | 120.0° | 120.0° |
| N2A | C2A | H13 | 110.0° | 109.5° |
| N2A | C1A | C3 | 118.9° | 120.0° |
| N2A | C1A | O1 | 120.8° | 120.0° |
| C1A | N2A | H12 | 120.0° | 120.0° |
| N11 | C61 | C51 | 113.6° | 109.5° |
| C61 | N11 | C21 | 112.9° | 111.2° |
| N11 | C61 | H32 | 108.4° | 109.4° |
| N11 | C61 | H33 | 108.5° | 109.5° |
| C61 | C51 | C41 | 113.0° | 109.3° |
| C61 | C51 | H30 | 108.6° | 109.4° |
| C61 | C51 | H31 | 108.6° | 109.5° |
| C51 | C61 | H32 | 108.4° | 109.4° |
| C51 | C61 | H33 | 108.4° | 109.5° |
| N11 | C21 | C31 | 113.3° | 109.5° |
| N11 | C21 | H24 | 108.5° | 109.5° |
| N11 | C21 | H25 | 108.5° | 109.5° |
| C3 | C1A | O1 | 120.3° | 120.0° |
| C1A | C3 | C4 | 111.9° | 109.6° |
| C1A | C3 | N2 | 109.2° | 109.6° |
| C1A | C3 | H5 | 108.1° | 109.8° |
| C4 | C3 | N2 | 110.2° | 108.5° |
| C3 | C4 | C4A | 110.8° | 110.0° |
| C4 | C3 | H5 | 108.1° | 109.7° |
| C3 | C4 | H6 | 109.1° | 109.4° |
| C3 | C4 | H7 | 109.1° | 109.4° |
| C3 | N2 | C1 | 111.1° | 110.2° |
| C3 | N2 | H3 | 109.1° | 111.1° |
| N2 | C3 | H5 | 109.4° | 109.7° |
| C4 | C4A | C5 | 120.6° | 118.5° |
| C4 | C4A | C8A | 120.4° | 121.5° |
| C4A | C4 | H6 | 109.1° | 109.4° |
| C4A | C4 | H7 | 109.1° | 109.4° |
| C4A | C5 | C6 | 120.1° | 120.5° |
| C5 | C4A | C8A | 119.0° | 120.0° |
| C4A | C5 | H8 | 119.9° | 119.8° |
| C5 | C6 | C7 | 120.2° | 119.8° |
| C6 | C5 | H8 | 119.9° | 119.8° |
| C5 | C6 | H9 | 119.9° | 120.1° |
| C4A | C8A | C1 | 122.0° | 122.1° |
| C4A | C8A | C8 | 121.0° | 119.8° |
| C21 | C31 | C41 | 113.2° | 109.3° |
| C21 | C31 | C34 | 107.8° | 109.5° |
| C31 | C21 | H24 | 108.5° | 109.5° |
| C31 | C21 | H25 | 108.5° | 109.5° |
| C21 | C31 | H26 | 108.6° | 109.5° |
| C6 | C7 | C8 | 119.5° | 119.8° |
| C6 | C7 | O7 | 120.8° | 120.1° |
| C7 | C6 | H9 | 119.9° | 120.1° |
| C51 | C41 | C4E | 104.4° | 109.6° |
| C51 | C41 | C31 | 112.2° | 109.1° |
| C51 | C41 | C1C | 114.5° | 109.5° |
| C41 | C51 | H30 | 108.6° | 109.5° |
| C41 | C51 | H31 | 108.5° | 109.5° |
| C1 | C8A | C8 | 117.0° | 118.2° |
| C8A | C1 | N2 | 114.0° | 110.3° |
| C8A | C1 | H1 | 108.3° | 109.3° |
| C8A | C1 | H2 | 108.3° | 109.3° |
| C8A | C8 | C7 | 120.2° | 120.2° |
| C8A | C8 | H11 | 119.9° | 119.9° |
| N2 | C1 | H1 | 108.3° | 109.3° |
| N2 | C1 | H2 | 108.3° | 109.3° |
| C1 | N2 | H3 | 109.1° | 111.0° |
| C8 | C7 | O7 | 119.6° | 120.1° |
| C7 | C8 | H11 | 119.9° | 119.8° |
| C7 | O7 | H10 | 109.5° | 114.0° |
| C4E | C41 | C31 | 108.6° | 109.5° |
| C4E | C41 | C1C | 106.1° | 109.6° |
| C41 | C4E | H34 | 109.5° | 109.5° |
| C41 | C4E | H35 | 109.5° | 109.5° |
| C41 | C4E | H36 | 109.5° | 109.5° |
| C31 | C41 | C1C | 110.6° | 109.5° |
| C41 | C31 | C34 | 110.7° | 109.5° |
| C41 | C31 | H26 | 108.9° | 109.5° |
| C41 | C1C | C6C | 120.4° | 120.0° |
| C41 | C1C | C2C | 119.6° | 120.0° |
| C34 | C31 | H26 | 107.4° | 109.5° |
| C31 | C34 | H27 | 109.5° | 109.5° |
| C31 | C34 | H28 | 109.5° | 109.5° |
| C31 | C34 | H29 | 109.5° | 109.5° |
| C6C | C1C | C2C | 120.1° | 120.1° |
| C1C | C6C | C5C | 119.9° | 120.1° |
| C1C | C6C | H41 | 120.0° | 120.0° |
| C1C | C2C | C3C | 119.8° | 120.0° |
| C1C | C2C | H37 | 120.1° | 120.1° |
| C6C | C5C | C4C | 120.2° | 120.0° |
| C6C | C5C | H40 | 119.9° | 120.0° |
| C5C | C6C | H41 | 120.1° | 119.9° |
| C2C | C3C | C4C | 119.9° | 119.8° |
| C2C | C3C | O3C | 119.6° | 120.1° |
| C3C | C2C | H37 | 120.1° | 120.0° |
| C5C | C4C | C3C | 120.1° | 120.0° |
| C5C | C4C | H39 | 119.9° | 120.0° |
| C4C | C5C | H40 | 119.9° | 120.0° |
| C4C | C3C | O3C | 120.5° | 120.0° |
| C3C | C4C | H39 | 120.0° | 120.0° |
| C3C | O3C | H38 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.3° |
| H6 | C4 | H7 | 109.5° | 109.3° |
| H15 | C3D | H16 | 109.4° | 109.5° |
| H15 | C3D | H17 | 109.5° | 109.5° |
| H16 | C3D | H17 | 109.5° | 109.4° |
| H18 | C3B | H19 | 109.5° | 109.5° |
| H18 | C3B | H20 | 109.5° | 109.5° |
| H19 | C3B | H20 | 109.5° | 109.5° |
| H21 | C4D | H22 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.4° |
| H27 | C34 | H28 | 109.5° | 109.4° |
| H27 | C34 | H29 | 109.5° | 109.5° |
| H28 | C34 | H29 | 109.5° | 109.5° |
| H30 | C51 | H31 | 109.5° | 109.5° |
| H32 | C61 | H33 | 109.5° | 109.5° |
| H34 | C4E | H35 | 109.5° | 109.4° |
| H34 | C4E | H36 | 109.5° | 109.5° |
| H35 | C4E | H36 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3B | C3A | C3D | C2A | 132.8° | 120.0° |
| C3B | C3A | C3D | H14 | 114.3° | 120.0° |
| C3B | C3A | C2A | H14 | 115.6° | 120.0° |
| C3B | C3A | C2A | C4D | 48.1° | 180.0° |
| C3B | C3A | C2A | N2A | 170.9° | 60.0° |
| C3B | C3A | C2A | H13 | 71.9° | 60.0° |
| C3B | C3A | C3D | H15 | 180.0° | 60.0° |
| C3B | C3A | C3D | H16 | 60.0° | 60.0° |
| C3B | C3A | C3D | H17 | 60.0° | 180.0° |
| C3A | C3B | H18 | H19 | 120.0° | 120.0° |
| C3A | C3B | H18 | H20 | 120.0° | 120.0° |
| C3A | C3B | H19 | H20 | 120.0° | 120.0° |
| C3D | C3A | C2A | H14 | 112.6° | 120.0° |
| C3D | C3A | C2A | C4D | 179.8° | 60.0° |
| C3D | C3A | C2A | N2A | 57.4° | 180.0° |
| C3D | C3A | C2A | H13 | 59.9° | 60.0° |
| C3A | C3D | H15 | H16 | 120.0° | 120.1° |
| C3A | C3D | H15 | H17 | 120.0° | 120.0° |
| C3A | C3D | H16 | H17 | 120.0° | 120.0° |
| C3D | C3A | C3B | H18 | 180.0° | 60.0° |
| C3D | C3A | C3B | H19 | 60.0° | 180.0° |
| C3D | C3A | C3B | H20 | 60.0° | 60.0° |
| C3A | C2A | C4D | N2A | 117.6° | 120.0° |
| C3A | C2A | C4D | H13 | 119.8° | 120.0° |
| C3A | C2A | C4D | N11 | 172.0° | 175.4° |
| C3A | C2A | N2A | H13 | 116.2° | 120.0° |
| C3A | C2A | N2A | C1A | 125.6° | 100.9° |
| C3A | C2A | N2A | H12 | 54.4° | 79.1° |
| C2A | C3A | C3D | H15 | 47.2° | 60.0° |
| C2A | C3A | C3D | H16 | 167.2° | 180.0° |
| C2A | C3A | C3D | H17 | 72.8° | 60.0° |
| C2A | C3A | C3B | H18 | 49.0° | 60.0° |
| C2A | C3A | C3B | H19 | 71.0° | 60.0° |
| C2A | C3A | C3B | H20 | 169.0° | 180.0° |
| C3A | C2A | C4D | H21 | 50.9° | 64.7° |
| C3A | C2A | C4D | H22 | 66.8° | 55.4° |
| C2A | C4D | N11 | H21 | 121.1° | 120.0° |
| C2A | C4D | N11 | H22 | 121.1° | 120.0° |
| C4D | C2A | N2A | H13 | 121.9° | 120.0° |
| C4D | C2A | N2A | C1A | 112.5° | 139.1° |
| C2A | C4D | N11 | C61 | 158.0° | 160.2° |
| C2A | C4D | N11 | C21 | 59.8° | 75.6° |
| C4D | C2A | N2A | H12 | 67.5° | 40.9° |
| C4D | C2A | C3A | H14 | 67.5° | 60.0° |
| C2A | C4D | H21 | H22 | 116.4° | 120.1° |
| N11 | C4D | C2A | N2A | 70.4° | 55.4° |
| C4D | N11 | C61 | C21 | 142.3° | 124.1° |
| C4D | N11 | C61 | C51 | 168.8° | 174.2° |
| C4D | N11 | C21 | C31 | 164.9° | 174.2° |
| N11 | C4D | C2A | H13 | 52.3° | 64.6° |
| N11 | C4D | H21 | H22 | 116.4° | 120.0° |
| C4D | N11 | C21 | H24 | 44.4° | 54.1° |
| C4D | N11 | C21 | H25 | 74.5° | 65.8° |
| C4D | N11 | C61 | H32 | 70.6° | 65.8° |
| C4D | N11 | C61 | H33 | 48.2° | 54.1° |
| C2A | N2A | C1A | H12 | 180.0° | 180.0° |
| C2A | N2A | C1A | C3 | 179.9° | 180.0° |
| C2A | N2A | C1A | O1 | 0.5° | 0.0° |
| N2A | C2A | C3A | H14 | 55.3° | 60.0° |
| N2A | C2A | C4D | H21 | 168.5° | 175.3° |
| N2A | C2A | C4D | H22 | 50.8° | 64.6° |
| N2A | C1A | C3 | O1 | 179.4° | 180.0° |
| N2A | C1A | C3 | C4 | 110.1° | 80.0° |
| N2A | C1A | C3 | N2 | 127.6° | 161.0° |
| N2A | C1A | C3 | H5 | 8.7° | 40.5° |
| C1A | N2A | C2A | H13 | 9.4° | 19.1° |
| N11 | C61 | C51 | H32 | 120.6° | 120.0° |
| N11 | C61 | C51 | H33 | 120.6° | 120.0° |
| C61 | N11 | C21 | C31 | 48.8° | 61.8° |
| N11 | C61 | C51 | C41 | 50.4° | 59.2° |
| C61 | N11 | C4D | H21 | 80.8° | 79.8° |
| C61 | N11 | C4D | H22 | 36.9° | 40.3° |
| C61 | N11 | C21 | H24 | 169.4° | 178.2° |
| C61 | N11 | C21 | H25 | 71.7° | 58.3° |
| N11 | C61 | C51 | H30 | 170.9° | 60.8° |
| N11 | C61 | C51 | H31 | 70.1° | 179.2° |
| N11 | C61 | H32 | H33 | 118.2° | 120.0° |
| C51 | C61 | N11 | C21 | 48.9° | 61.7° |
| C61 | C51 | C41 | H30 | 120.5° | 119.9° |
| C61 | C51 | C41 | H31 | 120.5° | 120.0° |
| C61 | C51 | C41 | C4E | 66.6° | 62.2° |
| C61 | C51 | C41 | C31 | 50.8° | 57.6° |
| C61 | C51 | C41 | C1C | 177.8° | 177.5° |
| C61 | C51 | H30 | H31 | 118.4° | 120.1° |
| C51 | C61 | H32 | H33 | 118.1° | 120.0° |
| N11 | C21 | C31 | H24 | 120.6° | 120.0° |
| N11 | C21 | C31 | H25 | 120.6° | 120.0° |
| N11 | C21 | C31 | C41 | 50.0° | 59.2° |
| N11 | C21 | C31 | C34 | 72.8° | 60.7° |
| C21 | N11 | C4D | H21 | 61.4° | 44.4° |
| C21 | N11 | C4D | H22 | 179.1° | 164.5° |
| N11 | C21 | H24 | H25 | 118.3° | 120.0° |
| N11 | C21 | C31 | H26 | 171.1° | 179.2° |
| C21 | N11 | C61 | H32 | 71.7° | 58.2° |
| C21 | N11 | C61 | H33 | 169.5° | 178.2° |
| C1A | C3 | C4 | N2 | 121.7° | 119.7° |
| C1A | C3 | C4 | H5 | 118.9° | 120.6° |
| C1A | C3 | N2 | H5 | 118.1° | 120.6° |
| C1A | C3 | C4 | C4A | 169.1° | 170.1° |
| C1A | C3 | N2 | C1 | 171.2° | 168.9° |
| C1A | C3 | N2 | H3 | 68.6° | 67.6° |
| C1A | C3 | C4 | H6 | 70.7° | 69.7° |
| C1A | C3 | C4 | H7 | 48.9° | 49.9° |
| C3 | C1A | N2A | H12 | 0.1° | 0.0° |
| O1 | C1A | C3 | C4 | 70.4° | 100.0° |
| O1 | C1A | C3 | N2 | 51.8° | 19.0° |
| O1 | C1A | C3 | H5 | 170.7° | 139.5° |
| O1 | C1A | N2A | H12 | 179.5° | 180.0° |
| C4 | C3 | N2 | H5 | 118.7° | 119.7° |
| C3 | C4 | C4A | H6 | 120.2° | 120.2° |
| C3 | C4 | C4A | H7 | 120.2° | 120.1° |
| C3 | C4 | C4A | C5 | 164.2° | 163.2° |
| C3 | C4 | C4A | C8A | 15.5° | 17.0° |
| C4 | C3 | N2 | C1 | 65.6° | 71.4° |
| C4 | C3 | N2 | H3 | 54.7° | 52.1° |
| C3 | C4 | H6 | H7 | 119.4° | 119.7° |
| N2 | C3 | C4 | C4A | 47.4° | 50.4° |
| C3 | N2 | C1 | C8A | 48.9° | 52.7° |
| C3 | N2 | C1 | H3 | 120.3° | 123.5° |
| C3 | N2 | C1 | H1 | 71.8° | 172.9° |
| C3 | N2 | C1 | H2 | 169.5° | 67.5° |
| N2 | C3 | C4 | H6 | 167.6° | 170.6° |
| N2 | C3 | C4 | H7 | 72.8° | 69.7° |
| C4 | C4A | C5 | C8A | 179.7° | 179.8° |
| C4 | C4A | C5 | C6 | 179.7° | 179.9° |
| C4 | C4A | C8A | C1 | 0.1° | 0.6° |
| C4 | C4A | C8A | C8 | 179.6° | 180.0° |
| C4A | C4 | C3 | H5 | 72.1° | 69.3° |
| C4A | C4 | H6 | H7 | 119.4° | 119.7° |
| C4 | C4A | C5 | H8 | 0.3° | 0.1° |
| C4A | C5 | C6 | H8 | 180.0° | 180.0° |
| C4A | C5 | C6 | C7 | 0.0° | 0.1° |
| C5 | C4A | C8A | C1 | 179.8° | 179.6° |
| C5 | C4A | C8A | C8 | 0.1° | 0.2° |
| C5 | C4A | C4 | H6 | 44.0° | 43.1° |
| C5 | C4A | C4 | H7 | 75.6° | 76.6° |
| C4A | C5 | C6 | H9 | 180.0° | 179.9° |
| C6 | C5 | C4A | C8A | 0.0° | 0.1° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C5 | C6 | C7 | O7 | 180.0° | 179.9° |
| C4A | C8A | C1 | C8 | 179.7° | 179.4° |
| C4A | C8A | C1 | N2 | 15.8° | 17.8° |
| C4A | C8A | C8 | C7 | 0.3° | 0.2° |
| C4A | C8A | C1 | H1 | 104.8° | 138.0° |
| C4A | C8A | C1 | H2 | 136.4° | 102.4° |
| C8A | C4A | C4 | H6 | 135.7° | 137.2° |
| C8A | C4A | C4 | H7 | 104.7° | 103.2° |
| C8A | C4A | C5 | H8 | 180.0° | 179.9° |
| C4A | C8A | C8 | H11 | 179.7° | 179.9° |
| C21 | C31 | C41 | C51 | 50.9° | 57.6° |
| C21 | C31 | C41 | C4E | 63.9° | 62.3° |
| C21 | C31 | C41 | C34 | 121.2° | 119.9° |
| C21 | C31 | C41 | H26 | 120.9° | 120.0° |
| C21 | C31 | C41 | C1C | 180.0° | 177.5° |
| C21 | C31 | C34 | H26 | 116.9° | 120.1° |
| C31 | C21 | H24 | H25 | 118.2° | 120.0° |
| C21 | C31 | C34 | H27 | 180.0° | 55.6° |
| C21 | C31 | C34 | H28 | 60.0° | 175.6° |
| C21 | C31 | C34 | H29 | 60.0° | 64.4° |
| C6 | C7 | C8 | C8A | 0.3° | 0.1° |
| C6 | C7 | C8 | O7 | 179.8° | 180.0° |
| C7 | C6 | C5 | H8 | 180.0° | 179.9° |
| C6 | C7 | O7 | H10 | 180.0° | 90.0° |
| C6 | C7 | C8 | H11 | 179.7° | 180.0° |
| C51 | C41 | C4E | C31 | 119.9° | 119.7° |
| C51 | C41 | C4E | C1C | 121.3° | 120.2° |
| C51 | C41 | C31 | C1C | 129.1° | 119.9° |
| C51 | C41 | C31 | C34 | 70.2° | 62.3° |
| C51 | C41 | C1C | C6C | 6.3° | 4.0° |
| C51 | C41 | C1C | C2C | 174.0° | 175.7° |
| C51 | C41 | C31 | H26 | 171.8° | 177.6° |
| C41 | C51 | H30 | H31 | 118.3° | 120.1° |
| C41 | C51 | C61 | H32 | 70.2° | 60.8° |
| C41 | C51 | C61 | H33 | 171.0° | 179.2° |
| C51 | C41 | C4E | H34 | 180.0° | 59.7° |
| C51 | C41 | C4E | H35 | 60.0° | 60.3° |
| C51 | C41 | C4E | H36 | 60.0° | 179.8° |
| C8A | C1 | N2 | H1 | 120.7° | 120.2° |
| C8A | C1 | N2 | H2 | 120.6° | 120.2° |
| C1 | C8A | C8 | C7 | 180.0° | 179.6° |
| C8A | C1 | H1 | H2 | 118.0° | 119.6° |
| C8A | C1 | N2 | H3 | 71.4° | 70.8° |
| C1 | C8A | C8 | H11 | 0.0° | 0.5° |
| C8 | C8A | C1 | N2 | 164.5° | 162.8° |
| C8A | C8 | C7 | H11 | 180.0° | 179.9° |
| C8A | C8 | C7 | O7 | 179.9° | 179.9° |
| C8 | C8A | C1 | H1 | 74.9° | 42.6° |
| C8 | C8A | C1 | H2 | 43.8° | 77.0° |
| N2 | C1 | H1 | H2 | 117.9° | 119.6° |
| C1 | N2 | C3 | H5 | 53.1° | 48.4° |
| C8 | C7 | C6 | H9 | 179.8° | 179.9° |
| C8 | C7 | O7 | H10 | 0.2° | 90.0° |
| O7 | C7 | C6 | H9 | 0.0° | 0.1° |
| O7 | C7 | C8 | H11 | 0.1° | 0.0° |
| C4E | C41 | C31 | C1C | 116.0° | 120.2° |
| C4E | C41 | C31 | C34 | 174.9° | 177.8° |
| C4E | C41 | C1C | C6C | 108.3° | 124.2° |
| C4E | C41 | C1C | C2C | 71.4° | 55.5° |
| C4E | C41 | C31 | H26 | 57.0° | 57.7° |
| C4E | C41 | C51 | H30 | 53.9° | 177.9° |
| C4E | C41 | C51 | H31 | 172.9° | 57.7° |
| C41 | C4E | H34 | H35 | 120.0° | 120.0° |
| C41 | C4E | H34 | H36 | 120.0° | 120.1° |
| C41 | C4E | H35 | H36 | 120.0° | 120.0° |
| C41 | C31 | C34 | H26 | 118.8° | 120.1° |
| C31 | C41 | C1C | C6C | 134.2° | 115.7° |
| C31 | C41 | C1C | C2C | 46.1° | 64.7° |
| C41 | C31 | C21 | H24 | 170.6° | 179.2° |
| C41 | C31 | C21 | H25 | 70.5° | 60.8° |
| C41 | C31 | C34 | H27 | 55.7° | 175.4° |
| C41 | C31 | C34 | H28 | 64.3° | 64.6° |
| C41 | C31 | C34 | H29 | 175.7° | 55.4° |
| C31 | C41 | C51 | H30 | 171.3° | 62.2° |
| C31 | C41 | C51 | H31 | 69.8° | 177.6° |
| C31 | C41 | C4E | H34 | 60.2° | 60.0° |
| C31 | C41 | C4E | H35 | 59.9° | 180.0° |
| C31 | C41 | C4E | H36 | 179.8° | 60.1° |
| C1C | C41 | C31 | C34 | 58.9° | 57.6° |
| C41 | C1C | C6C | C2C | 179.7° | 179.7° |
| C41 | C1C | C6C | C5C | 179.9° | 179.8° |
| C41 | C1C | C2C | C3C | 179.9° | 180.0° |
| C1C | C41 | C31 | H26 | 59.1° | 62.5° |
| C1C | C41 | C51 | H30 | 61.7° | 57.6° |
| C1C | C41 | C51 | H31 | 57.3° | 62.5° |
| C1C | C41 | C4E | H34 | 58.7° | 179.8° |
| C1C | C41 | C4E | H35 | 178.7° | 59.9° |
| C1C | C41 | C4E | H36 | 61.3° | 60.1° |
| C41 | C1C | C2C | H37 | 0.1° | 0.1° |
| C41 | C1C | C6C | H41 | 0.1° | 0.0° |
| C34 | C31 | C21 | H24 | 47.8° | 59.3° |
| C34 | C31 | C21 | H25 | 166.7° | 179.3° |
| C31 | C34 | H27 | H28 | 120.0° | 120.0° |
| C31 | C34 | H27 | H29 | 120.0° | 120.1° |
| C31 | C34 | H28 | H29 | 120.0° | 120.0° |
| C1C | C6C | C5C | H41 | 180.0° | 179.8° |
| C6C | C1C | C2C | C3C | 0.2° | 0.3° |
| C1C | C6C | C5C | C4C | 0.2° | 0.5° |
| C6C | C1C | C2C | H37 | 179.9° | 179.8° |
| C1C | C6C | C5C | H40 | 179.8° | 179.7° |
| C2C | C1C | C6C | C5C | 0.2° | 0.5° |
| C1C | C2C | C3C | H37 | 180.0° | 179.9° |
| C1C | C2C | C3C | C4C | 0.0° | 0.0° |
| C1C | C2C | C3C | O3C | 179.8° | 179.9° |
| C2C | C1C | C6C | H41 | 179.8° | 179.7° |
| C6C | C5C | C4C | H40 | 180.0° | 179.8° |
| C6C | C5C | C4C | C3C | 0.0° | 0.3° |
| C6C | C5C | C4C | H39 | 179.9° | 179.8° |
| C2C | C3C | C4C | C5C | 0.0° | 0.0° |
| C2C | C3C | C4C | O3C | 179.8° | 179.9° |
| C2C | C3C | O3C | H38 | 180.0° | 89.9° |
| C2C | C3C | C4C | H39 | 180.0° | 180.0° |
| C5C | C4C | C3C | H39 | 180.0° | 180.0° |
| C5C | C4C | C3C | O3C | 179.8° | 179.9° |
| C4C | C5C | C6C | H41 | 179.8° | 179.7° |
| C4C | C3C | C2C | H37 | 180.0° | 180.0° |
| C4C | C3C | O3C | H38 | 0.2° | 90.0° |
| C3C | C4C | C5C | H40 | 179.9° | 180.0° |
| O3C | C3C | C2C | H37 | 0.2° | 0.1° |
| O3C | C3C | C4C | H39 | 0.2° | 0.1° |
| H1 | C1 | N2 | H3 | 167.9° | 49.4° |
| H2 | C1 | N2 | H3 | 49.3° | 169.0° |
| H3 | N2 | C3 | H5 | 173.4° | 171.8° |
| H5 | C3 | C4 | H6 | 48.1° | 50.8° |
| H5 | C3 | C4 | H7 | 167.7° | 170.5° |
| H8 | C5 | C6 | H9 | 0.0° | 0.0° |
| H12 | N2A | C2A | H13 | 170.6° | 160.9° |
| H13 | C2A | C3A | H14 | 172.5° | 180.0° |
| H13 | C2A | C4D | H21 | 68.9° | 55.3° |
| H13 | C2A | C4D | H22 | 173.4° | 175.4° |
| H14 | C3A | C3D | H15 | 65.7° | 180.0° |
| H14 | C3A | C3D | H16 | 54.3° | 60.0° |
| H14 | C3A | C3D | H17 | 174.3° | 60.0° |
| H14 | C3A | C3B | H18 | 66.3° | 180.0° |
| H14 | C3A | C3B | H19 | 173.7° | 60.0° |
| H14 | C3A | C3B | H20 | 53.7° | 60.0° |
| H15 | C3D | H16 | H17 | 120.0° | 120.0° |
| H18 | C3B | H19 | H20 | 120.0° | 120.0° |
| H24 | C21 | C31 | H26 | 68.3° | 60.8° |
| H25 | C21 | C31 | H26 | 50.6° | 59.2° |
| H26 | C31 | C34 | H27 | 63.1° | 64.5° |
| H26 | C31 | C34 | H28 | 176.9° | 55.5° |
| H26 | C31 | C34 | H29 | 56.9° | 175.5° |
| H27 | C34 | H28 | H29 | 120.0° | 120.0° |
| H30 | C51 | C61 | H32 | 50.3° | 179.3° |
| H30 | C51 | C61 | H33 | 68.5° | 59.3° |
| H31 | C51 | C61 | H32 | 169.3° | 59.2° |
| H31 | C51 | C61 | H33 | 50.5° | 60.8° |
| H34 | C4E | H35 | H36 | 120.0° | 120.0° |
| H39 | C4C | C5C | H40 | 0.1° | 0.0° |
| H40 | C5C | C6C | H41 | 0.2° | 0.1° |
