A1B93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C31 | doub | 1.21Å | 1.25Å | |
| O31 | C31 | sing | 1.35Å | 1.24Å | |
| C31 | C3 | sing | 1.48Å | 1.46Å | |
| C2A | C1A | sing | 1.55Å | 1.51Å | |
| C2A | N3A | sing | 1.48Å | 1.47Å | |
| C1A | C4A | sing | 1.55Å | 1.51Å | |
| C1A | S21 | sing | 1.81Å | 1.75Å | |
| N3A | C5A | sing | 1.47Å | 1.48Å | |
| C4A | C5A | sing | 1.54Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.48Å | |
| C3 | N4 | doub | 1.27Å | 1.26Å | |
| C5A | C6A | sing | 1.51Å | 1.50Å | |
| S21 | C2 | sing | 1.81Å | 1.76Å | |
| C2 | C1 | sing | 1.55Å | 1.51Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| O7 | C7 | doub | 1.21Å | 1.23Å | |
| C6A | N7A | sing | 1.35Å | 1.33Å | |
| C6A | O6A | doub | 1.21Å | 1.22Å | |
| C1 | C5 | sing | 1.55Å | 1.53Å | |
| C1 | C11 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| N7A | CD2 | sing | 1.40Å | 1.35Å | |
| C7 | C6 | sing | 1.51Å | 1.60Å | |
| C6 | C61 | sing | 1.53Å | 1.53Å | |
| CD2 | CE2 | doub | 1.39Å | 1.38Å | Aromatic |
| CD2 | CE3 | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | CZ2 | sing | 1.38Å | 1.38Å | Aromatic |
| C61 | O62 | sing | 1.43Å | 1.43Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| CE3 | CZ3 | doub | 1.40Å | 1.38Å | Aromatic |
| CZ2 | CH2 | doub | 1.38Å | 1.38Å | Aromatic |
| CZ3 | CH2 | sing | 1.40Å | 1.38Å | Aromatic |
| CZ3 | C41 | sing | 1.48Å | 1.49Å | |
| O43 | C41 | doub | 1.21Å | 1.25Å | |
| C41 | O42 | sing | 1.35Å | 1.25Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| CE2 | H10 | sing | 1.08Å | 1.08Å | |
| CE3 | H11 | sing | 1.08Å | 1.08Å | |
| CZ2 | H12 | sing | 1.08Å | 1.08Å | |
| CH2 | H13 | sing | 1.08Å | 1.08Å | |
| C1A | H14 | sing | 1.09Å | 1.10Å | |
| C2A | H15 | sing | 1.09Å | 1.10Å | |
| C2A | H16 | sing | 1.09Å | 1.10Å | |
| C4A | H17 | sing | 1.09Å | 1.10Å | |
| C4A | H18 | sing | 1.09Å | 1.10Å | |
| C5A | H19 | sing | 1.09Å | 1.10Å | |
| C61 | H20 | sing | 1.09Å | 1.10Å | |
| C62 | H21 | sing | 1.09Å | 1.10Å | |
| C62 | H22 | sing | 1.09Å | 1.10Å | |
| C62 | H23 | sing | 1.09Å | 1.10Å | |
| N3A | H24 | sing | 1.01Å | 1.00Å | |
| N7A | H26 | sing | 0.97Å | 1.00Å | |
| O31 | H27 | sing | 0.97Å | 0.95Å | |
| O42 | H28 | sing | 0.97Å | 0.95Å | |
| O62 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C31 | O31 | 122.0° | 120.0° |
| O32 | C31 | C3 | 118.3° | 120.0° |
| O31 | C31 | C3 | 119.7° | 120.0° |
| C31 | O31 | H27 | 109.5° | 117.0° |
| C31 | C3 | C2 | 121.7° | 124.4° |
| C31 | C3 | N4 | 125.5° | 124.4° |
| C1A | C2A | N3A | 106.2° | 104.8° |
| C2A | C1A | C4A | 105.5° | 101.6° |
| C2A | C1A | S21 | 110.7° | 111.0° |
| C2A | C1A | H14 | 111.9° | 111.0° |
| C1A | C2A | H15 | 110.3° | 110.4° |
| C1A | C2A | H16 | 110.3° | 110.4° |
| C2A | N3A | C5A | 108.8° | 108.6° |
| N3A | C2A | H15 | 110.3° | 110.4° |
| N3A | C2A | H16 | 110.3° | 110.4° |
| C2A | N3A | H24 | 109.6° | 111.0° |
| C4A | C1A | S21 | 108.3° | 111.0° |
| C1A | C4A | C5A | 105.1° | 103.0° |
| C4A | C1A | H14 | 111.8° | 111.0° |
| C1A | C4A | H17 | 110.5° | 110.7° |
| C1A | C4A | H18 | 110.6° | 110.7° |
| C1A | S21 | C2 | 106.0° | 103.0° |
| S21 | C1A | H14 | 108.7° | 110.9° |
| N3A | C5A | C4A | 107.3° | 107.2° |
| N3A | C5A | C6A | 110.9° | 109.9° |
| N3A | C5A | H19 | 110.1° | 110.0° |
| C5A | N3A | H24 | 109.7° | 111.0° |
| C4A | C5A | C6A | 109.2° | 109.9° |
| C5A | C4A | H17 | 110.5° | 110.7° |
| C5A | C4A | H18 | 110.5° | 110.7° |
| C4A | C5A | H19 | 109.6° | 109.8° |
| C2 | C3 | N4 | 112.8° | 111.2° |
| C3 | C2 | S21 | 103.8° | 110.7° |
| C3 | C2 | C1 | 102.9° | 103.8° |
| C3 | C2 | H1 | 114.9° | 110.5° |
| C3 | N4 | C5 | 114.4° | 112.5° |
| C5A | C6A | N7A | 116.0° | 120.0° |
| C5A | C6A | O6A | 119.1° | 120.0° |
| C6A | C5A | H19 | 109.8° | 109.9° |
| S21 | C2 | C1 | 109.4° | 110.6° |
| S21 | C2 | H1 | 110.8° | 110.5° |
| C2 | C1 | C5 | 106.4° | 100.8° |
| C2 | C1 | C11 | 111.5° | 111.2° |
| C1 | C2 | H1 | 114.3° | 110.6° |
| C2 | C1 | H4 | 108.2° | 111.1° |
| N4 | C5 | C1 | 102.2° | 105.1° |
| N4 | C5 | C6 | 107.3° | 110.3° |
| N4 | C5 | H2 | 111.8° | 110.5° |
| O7 | C7 | C6 | 110.5° | 120.0° |
| O7 | C7 | H8 | 124.7° | 120.0° |
| N7A | C6A | O6A | 124.9° | 120.0° |
| C6A | N7A | CD2 | 123.9° | 120.0° |
| C6A | N7A | H26 | 118.0° | 120.0° |
| C5 | C1 | C11 | 114.3° | 111.2° |
| C1 | C5 | C6 | 113.3° | 110.3° |
| C1 | C5 | H2 | 110.9° | 110.3° |
| C5 | C1 | H4 | 108.1° | 111.2° |
| C11 | C1 | H4 | 108.1° | 111.0° |
| C1 | C11 | H5 | 109.5° | 109.5° |
| C1 | C11 | H6 | 109.5° | 109.5° |
| C1 | C11 | H7 | 109.5° | 109.5° |
| C5 | C6 | C7 | 110.7° | 109.5° |
| C5 | C6 | C61 | 110.3° | 109.4° |
| C6 | C5 | H2 | 111.0° | 110.3° |
| C5 | C6 | H3 | 110.3° | 109.5° |
| N7A | CD2 | CE2 | 119.3° | 120.0° |
| N7A | CD2 | CE3 | 121.0° | 120.0° |
| CD2 | N7A | H26 | 118.1° | 120.0° |
| C7 | C6 | C61 | 106.1° | 109.5° |
| C7 | C6 | H3 | 109.2° | 109.5° |
| C6 | C7 | H8 | 124.7° | 120.0° |
| C6 | C61 | O62 | 112.2° | 109.5° |
| C6 | C61 | C62 | 110.2° | 109.5° |
| C61 | C6 | H3 | 110.2° | 109.4° |
| C6 | C61 | H20 | 107.3° | 109.5° |
| CE2 | CD2 | CE3 | 119.7° | 120.0° |
| CD2 | CE2 | CZ2 | 120.2° | 120.2° |
| CD2 | CE2 | H10 | 119.9° | 119.9° |
| CD2 | CE3 | CZ3 | 120.0° | 119.8° |
| CD2 | CE3 | H11 | 120.0° | 120.1° |
| CE2 | CZ2 | CH2 | 120.1° | 120.3° |
| CZ2 | CE2 | H10 | 119.9° | 119.9° |
| CE2 | CZ2 | H12 | 119.9° | 119.9° |
| O62 | C61 | C62 | 111.4° | 109.5° |
| O62 | C61 | H20 | 108.4° | 109.5° |
| C61 | O62 | H29 | 109.5° | 114.0° |
| C62 | C61 | H20 | 107.2° | 109.5° |
| C61 | C62 | H21 | 109.5° | 109.5° |
| C61 | C62 | H22 | 109.5° | 109.5° |
| C61 | C62 | H23 | 109.5° | 109.4° |
| CE3 | CZ3 | CH2 | 120.2° | 119.8° |
| CE3 | CZ3 | C41 | 120.5° | 120.2° |
| CZ3 | CE3 | H11 | 120.0° | 120.1° |
| CZ2 | CH2 | CZ3 | 119.8° | 120.0° |
| CH2 | CZ2 | H12 | 119.9° | 119.9° |
| CZ2 | CH2 | H13 | 120.1° | 120.0° |
| CH2 | CZ3 | C41 | 119.3° | 120.1° |
| CZ3 | CH2 | H13 | 120.1° | 120.0° |
| CZ3 | C41 | O43 | 119.2° | 120.0° |
| CZ3 | C41 | O42 | 118.3° | 120.0° |
| O43 | C41 | O42 | 122.5° | 120.0° |
| C41 | O42 | H28 | 109.5° | 117.0° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.4° | 109.5° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H15 | C2A | H16 | 109.5° | 110.4° |
| H17 | C4A | H18 | 109.5° | 110.8° |
| H21 | C62 | H22 | 109.4° | 109.5° |
| H21 | C62 | H23 | 109.5° | 109.5° |
| H22 | C62 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C31 | O31 | C3 | 178.6° | 180.0° |
| O32 | C31 | C3 | C2 | 43.0° | 5.4° |
| O32 | C31 | C3 | N4 | 138.8° | 174.7° |
| O32 | C31 | O31 | H27 | 0.0° | 0.0° |
| O31 | C31 | C3 | C2 | 135.7° | 174.6° |
| O31 | C31 | C3 | N4 | 42.6° | 5.4° |
| C31 | C3 | C2 | N4 | 178.4° | 180.0° |
| C31 | C3 | C2 | S21 | 71.7° | 45.4° |
| C31 | C3 | C2 | C1 | 174.2° | 164.0° |
| C31 | C3 | N4 | C5 | 179.1° | 179.9° |
| C31 | C3 | C2 | H1 | 49.4° | 77.4° |
| C3 | C31 | O31 | H27 | 178.6° | 180.0° |
| C1A | C2A | N3A | H15 | 119.5° | 118.8° |
| C1A | C2A | N3A | H16 | 119.5° | 118.9° |
| C2A | C1A | C4A | S21 | 118.5° | 118.1° |
| C2A | C1A | C4A | H14 | 121.8° | 118.1° |
| C2A | C1A | S21 | H14 | 123.2° | 123.9° |
| C1A | C2A | N3A | C5A | 16.4° | 24.1° |
| C2A | C1A | C4A | C5A | 25.6° | 35.6° |
| C2A | C1A | S21 | C2 | 163.5° | 75.6° |
| C1A | C2A | H15 | H16 | 121.5° | 122.3° |
| C2A | C1A | C4A | H17 | 93.7° | 154.0° |
| C2A | C1A | C4A | H18 | 144.9° | 82.8° |
| C1A | C2A | N3A | H24 | 103.6° | 146.3° |
| N3A | C2A | C1A | C4A | 26.0° | 37.1° |
| N3A | C2A | C1A | S21 | 90.8° | 155.2° |
| C2A | N3A | C5A | H24 | 119.9° | 122.3° |
| C2A | N3A | C5A | C4A | 0.3° | 1.0° |
| C2A | N3A | C5A | C6A | 119.4° | 118.4° |
| N3A | C2A | C1A | H14 | 147.8° | 81.0° |
| N3A | C2A | H15 | H16 | 121.5° | 122.3° |
| C2A | N3A | C5A | H19 | 118.9° | 120.4° |
| C4A | C1A | S21 | H14 | 121.7° | 123.9° |
| C1A | C4A | C5A | N3A | 15.8° | 22.3° |
| C1A | C4A | C5A | H17 | 119.3° | 118.4° |
| C1A | C4A | C5A | H18 | 119.3° | 118.4° |
| C1A | C4A | C5A | C6A | 104.4° | 141.7° |
| C4A | C1A | S21 | C2 | 81.4° | 172.2° |
| C4A | C1A | C2A | H15 | 145.5° | 81.8° |
| C4A | C1A | C2A | H16 | 93.5° | 155.9° |
| C1A | C4A | H17 | H18 | 122.0° | 123.1° |
| C1A | C4A | C5A | H19 | 135.3° | 97.3° |
| S21 | C1A | C4A | C5A | 92.9° | 153.7° |
| C1A | S21 | C2 | C3 | 115.8° | 176.1° |
| C1A | S21 | C2 | C1 | 134.9° | 69.5° |
| C1A | S21 | C2 | H1 | 8.0° | 53.3° |
| S21 | C1A | C2A | H15 | 28.7° | 36.3° |
| S21 | C1A | C2A | H16 | 149.7° | 86.0° |
| S21 | C1A | C4A | H17 | 147.8° | 87.9° |
| S21 | C1A | C4A | H18 | 26.4° | 35.3° |
| N3A | C5A | C4A | C6A | 120.3° | 119.4° |
| N3A | C5A | C4A | H19 | 119.5° | 119.6° |
| N3A | C5A | C6A | H19 | 121.9° | 121.3° |
| N3A | C5A | C6A | N7A | 2.3° | 162.3° |
| N3A | C5A | C6A | O6A | 177.5° | 17.8° |
| C5A | N3A | C2A | H15 | 135.8° | 94.8° |
| C5A | N3A | C2A | H16 | 103.1° | 143.0° |
| N3A | C5A | C4A | H17 | 103.5° | 140.7° |
| N3A | C5A | C4A | H18 | 135.1° | 96.1° |
| C4A | C5A | C6A | H19 | 120.1° | 121.0° |
| C4A | C5A | C6A | N7A | 120.3° | 79.9° |
| C4A | C5A | C6A | O6A | 59.5° | 100.0° |
| C5A | C4A | C1A | H14 | 147.4° | 82.5° |
| C5A | C4A | H17 | H18 | 122.0° | 123.2° |
| C4A | C5A | N3A | H24 | 119.7° | 123.3° |
| C3 | C2 | S21 | C1 | 109.3° | 114.4° |
| C3 | C2 | S21 | H1 | 123.8° | 122.8° |
| C3 | C2 | C1 | H1 | 125.3° | 118.6° |
| C2 | C3 | N4 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | C5 | 10.5° | 23.6° |
| C3 | C2 | C1 | C11 | 135.8° | 94.4° |
| C3 | C2 | C1 | H4 | 105.5° | 141.5° |
| N4 | C3 | C2 | S21 | 106.7° | 134.6° |
| N4 | C3 | C2 | C1 | 7.3° | 15.9° |
| C3 | N4 | C5 | C1 | 6.1° | 16.2° |
| C3 | N4 | C5 | C6 | 113.4° | 135.1° |
| N4 | C3 | C2 | H1 | 132.2° | 102.7° |
| C3 | N4 | C5 | H2 | 124.7° | 102.7° |
| C5A | C6A | N7A | O6A | 179.7° | 179.9° |
| C5A | C6A | N7A | CD2 | 179.9° | 175.0° |
| C6A | C5A | C4A | H17 | 136.3° | 99.9° |
| C6A | C5A | C4A | H18 | 14.9° | 23.3° |
| C6A | C5A | N3A | H24 | 0.5° | 3.9° |
| C5A | C6A | N7A | H26 | 0.1° | 4.9° |
| S21 | C2 | C1 | H1 | 124.9° | 122.8° |
| S21 | C2 | C1 | C5 | 99.4° | 142.3° |
| S21 | C2 | C1 | C11 | 25.9° | 24.3° |
| S21 | C2 | C1 | H4 | 144.7° | 99.9° |
| C2 | S21 | C1A | H14 | 40.3° | 48.3° |
| C2 | C1 | C5 | N4 | 10.1° | 24.0° |
| C2 | C1 | C5 | C11 | 123.5° | 117.9° |
| C2 | C1 | C5 | H4 | 116.1° | 117.8° |
| C2 | C1 | C11 | H4 | 118.9° | 124.2° |
| C2 | C1 | C5 | C6 | 105.0° | 142.9° |
| C2 | C1 | C5 | H2 | 129.3° | 95.0° |
| C2 | C1 | C11 | H5 | 180.0° | 68.9° |
| C2 | C1 | C11 | H6 | 60.0° | 171.1° |
| C2 | C1 | C11 | H7 | 60.0° | 51.1° |
| N4 | C5 | C1 | C6 | 115.1° | 118.9° |
| N4 | C5 | C1 | H2 | 119.3° | 119.1° |
| N4 | C5 | C1 | C11 | 133.6° | 93.9° |
| N4 | C5 | C6 | H2 | 122.4° | 122.3° |
| N4 | C5 | C6 | C7 | 21.8° | 47.6° |
| N4 | C5 | C6 | C61 | 139.0° | 72.4° |
| N4 | C5 | C6 | H3 | 99.1° | 167.7° |
| N4 | C5 | C1 | H4 | 106.0° | 141.9° |
| O7 | C7 | C6 | C5 | 100.4° | 120.0° |
| O7 | C7 | C6 | H8 | 180.0° | 180.0° |
| O7 | C7 | C6 | C61 | 140.0° | 120.0° |
| O7 | C7 | C6 | H3 | 21.3° | 0.0° |
| C6A | N7A | CD2 | H26 | 180.0° | 179.9° |
| C6A | N7A | CD2 | CE2 | 109.3° | 145.5° |
| C6A | N7A | CD2 | CE3 | 71.2° | 34.7° |
| N7A | C6A | C5A | H19 | 119.6° | 41.0° |
| O6A | C6A | N7A | CD2 | 0.2° | 5.1° |
| O6A | C6A | C5A | H19 | 60.6° | 139.1° |
| O6A | C6A | N7A | H26 | 179.8° | 175.0° |
| C5 | C1 | C11 | H4 | 120.4° | 124.3° |
| C1 | C5 | C6 | H2 | 125.6° | 122.1° |
| C1 | C5 | C6 | C7 | 133.9° | 68.0° |
| C1 | C5 | C6 | C61 | 109.0° | 172.0° |
| C5 | C1 | C2 | H1 | 135.7° | 95.0° |
| C1 | C5 | C6 | H3 | 12.9° | 52.0° |
| C5 | C1 | C11 | H5 | 59.3° | 179.6° |
| C5 | C1 | C11 | H6 | 60.8° | 59.6° |
| C5 | C1 | C11 | H7 | 179.3° | 60.4° |
| C11 | C1 | C5 | C6 | 18.5° | 25.0° |
| C11 | C1 | C2 | H1 | 99.0° | 147.1° |
| C11 | C1 | C5 | H2 | 107.1° | 147.0° |
| C1 | C11 | H5 | H6 | 120.0° | 120.0° |
| C1 | C11 | H5 | H7 | 120.0° | 120.0° |
| C1 | C11 | H6 | H7 | 120.0° | 120.0° |
| C5 | C6 | C7 | C61 | 119.6° | 120.0° |
| C5 | C6 | C7 | H3 | 121.7° | 120.1° |
| C5 | C6 | C61 | H3 | 122.0° | 120.0° |
| C5 | C6 | C61 | O62 | 51.3° | 60.0° |
| C5 | C6 | C61 | C62 | 176.0° | 60.0° |
| C6 | C5 | C1 | H4 | 138.9° | 99.3° |
| C5 | C6 | C7 | H8 | 79.7° | 60.0° |
| C5 | C6 | C61 | H20 | 67.6° | 180.0° |
| N7A | CD2 | CE2 | CE3 | 179.5° | 179.8° |
| N7A | CD2 | CE2 | CZ2 | 179.7° | 179.7° |
| N7A | CD2 | CE3 | CZ3 | 179.8° | 179.7° |
| N7A | CD2 | CE2 | H10 | 0.3° | 0.3° |
| N7A | CD2 | CE3 | H11 | 0.2° | 0.2° |
| C7 | C6 | C61 | H3 | 118.0° | 120.0° |
| C7 | C6 | C61 | O62 | 171.2° | 60.0° |
| C7 | C6 | C61 | C62 | 64.1° | 180.0° |
| C7 | C6 | C5 | H2 | 100.5° | 169.9° |
| C7 | C6 | C61 | H20 | 52.3° | 60.0° |
| C6 | C61 | O62 | C62 | 124.1° | 120.0° |
| C6 | C61 | O62 | H20 | 118.2° | 120.0° |
| C6 | C61 | C62 | H20 | 116.4° | 120.0° |
| C61 | C6 | C5 | H2 | 16.6° | 49.9° |
| C61 | C6 | C7 | H8 | 40.0° | 60.0° |
| C6 | C61 | C62 | H21 | 180.0° | 60.0° |
| C6 | C61 | C62 | H22 | 60.0° | 180.0° |
| C6 | C61 | C62 | H23 | 60.0° | 60.0° |
| C6 | C61 | O62 | H29 | 180.0° | 180.0° |
| CD2 | CE2 | CZ2 | H10 | 180.0° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.4° | 0.1° |
| CD2 | CE2 | CZ2 | CH2 | 0.2° | 0.0° |
| CE2 | CD2 | CE3 | H11 | 179.6° | 179.9° |
| CD2 | CE2 | CZ2 | H12 | 179.8° | 180.0° |
| CE2 | CD2 | N7A | H26 | 70.7° | 34.4° |
| CE3 | CD2 | CE2 | CZ2 | 0.3° | 0.0° |
| CD2 | CE3 | CZ3 | H11 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.5° | 0.1° |
| CD2 | CE3 | CZ3 | C41 | 179.9° | 180.0° |
| CE3 | CD2 | CE2 | H10 | 179.7° | 180.0° |
| CE3 | CD2 | N7A | H26 | 108.8° | 145.4° |
| CE2 | CZ2 | CH2 | H12 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.3° | 0.1° |
| CE2 | CZ2 | CH2 | H13 | 179.7° | 180.0° |
| O62 | C61 | C62 | H20 | 118.4° | 120.0° |
| O62 | C61 | C6 | H3 | 70.7° | 180.0° |
| O62 | C61 | C62 | H21 | 54.9° | 60.0° |
| O62 | C61 | C62 | H22 | 174.8° | 60.0° |
| O62 | C61 | C62 | H23 | 65.1° | 180.0° |
| C62 | C61 | C6 | H3 | 54.0° | 60.0° |
| C61 | C62 | H21 | H22 | 120.0° | 120.0° |
| C61 | C62 | H21 | H23 | 120.0° | 120.0° |
| C61 | C62 | H22 | H23 | 120.0° | 119.9° |
| C62 | C61 | O62 | H29 | 55.9° | 60.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.4° | 0.1° |
| CE3 | CZ3 | CH2 | C41 | 179.4° | 179.9° |
| CE3 | CZ3 | C41 | O43 | 6.0° | 0.1° |
| CE3 | CZ3 | C41 | O42 | 174.0° | 180.0° |
| CE3 | CZ3 | CH2 | H13 | 179.6° | 179.9° |
| CZ2 | CH2 | CZ3 | H13 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | C41 | 179.9° | 180.0° |
| CH2 | CZ2 | CE2 | H10 | 179.8° | 180.0° |
| CH2 | CZ3 | C41 | O43 | 174.6° | 180.0° |
| CH2 | CZ3 | C41 | O42 | 5.4° | 0.1° |
| CH2 | CZ3 | CE3 | H11 | 179.5° | 180.0° |
| CZ3 | CH2 | CZ2 | H12 | 179.7° | 179.9° |
| CZ3 | C41 | O43 | O42 | 180.0° | 179.9° |
| C41 | CZ3 | CE3 | H11 | 0.1° | 0.1° |
| C41 | CZ3 | CH2 | H13 | 0.1° | 0.0° |
| CZ3 | C41 | O42 | H28 | 180.0° | 179.9° |
| O43 | C41 | O42 | H28 | 0.0° | 0.0° |
| H1 | C2 | C1 | H4 | 19.8° | 22.9° |
| H2 | C5 | C6 | H3 | 138.5° | 70.1° |
| H2 | C5 | C1 | H4 | 13.3° | 22.8° |
| H3 | C6 | C7 | H8 | 158.7° | 180.0° |
| H3 | C6 | C61 | H20 | 170.4° | 60.0° |
| H4 | C1 | C11 | H5 | 61.1° | 55.3° |
| H4 | C1 | C11 | H6 | 178.8° | 64.7° |
| H4 | C1 | C11 | H7 | 58.9° | 175.3° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H10 | CE2 | CZ2 | H12 | 0.2° | 0.0° |
| H12 | CZ2 | CH2 | H13 | 0.3° | 0.0° |
| H14 | C1A | C2A | H15 | 92.7° | 160.1° |
| H14 | C1A | C2A | H16 | 28.3° | 37.8° |
| H14 | C1A | C4A | H17 | 28.1° | 35.9° |
| H14 | C1A | C4A | H18 | 93.3° | 159.1° |
| H15 | C2A | N3A | H24 | 15.9° | 27.5° |
| H16 | C2A | N3A | H24 | 136.9° | 94.8° |
| H17 | C4A | C5A | H19 | 16.0° | 21.1° |
| H18 | C4A | C5A | H19 | 105.4° | 144.3° |
| H19 | C5A | N3A | H24 | 121.2° | 117.3° |
| H20 | C61 | C62 | H21 | 63.6° | 180.0° |
| H20 | C61 | C62 | H22 | 56.4° | 60.0° |
| H20 | C61 | C62 | H23 | 176.4° | 60.0° |
| H20 | C61 | O62 | H29 | 61.8° | 60.0° |
| H21 | C62 | H22 | H23 | 120.0° | 120.0° |
