A1EH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C19 | sing | 1.51Å | 1.47Å | |
| N05 | C19 | doub | 1.31Å | 1.34Å | Aromatic |
| N05 | N04 | sing | 1.40Å | 1.35Å | Aromatic |
| C19 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| O03 | C09 | doub | 1.22Å | 1.23Å | |
| N04 | C17 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | C17 | doub | 1.35Å | 1.35Å | Aromatic |
| C14 | C07 | sing | 1.51Å | 1.51Å | |
| C08 | N02 | sing | 1.47Å | 1.45Å | |
| C08 | C10 | sing | 1.55Å | 1.50Å | |
| C09 | N02 | sing | 1.35Å | 1.37Å | |
| C09 | C03 | sing | 1.47Å | 1.46Å | |
| C17 | C20 | sing | 1.51Å | 1.47Å | |
| C07 | C05 | sing | 1.51Å | 1.48Å | |
| N02 | O01 | sing | 1.42Å | 1.41Å | |
| C03 | C05 | doub | 1.34Å | 1.38Å | Aromatic |
| C03 | C01 | sing | 1.46Å | 1.43Å | Aromatic |
| C05 | S01 | sing | 1.75Å | 1.71Å | Aromatic |
| C10 | O02 | sing | 1.43Å | 1.42Å | |
| C10 | C13 | sing | 1.55Å | 1.51Å | |
| O04 | C11 | doub | 1.22Å | 1.23Å | |
| C01 | C11 | sing | 1.48Å | 1.44Å | |
| C01 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C06 | sing | 1.53Å | 1.53Å | |
| C11 | N03 | sing | 1.35Å | 1.42Å | |
| O01 | C13 | sing | 1.44Å | 1.44Å | |
| S01 | C02 | sing | 1.76Å | 1.70Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.39Å | |
| N03 | C18 | sing | 1.47Å | 1.46Å | |
| N03 | C12 | sing | 1.34Å | 1.43Å | |
| C15 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C04 | sing | 1.53Å | 1.53Å | |
| N01 | C12 | sing | 1.34Å | 1.42Å | |
| N01 | C04 | sing | 1.46Å | 1.46Å | |
| C12 | O05 | doub | 1.22Å | 1.24Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| N04 | H26 | sing | 0.97Å | 1.00Å | |
| O02 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C19 | N05 | 119.5° | 125.9° |
| C21 | C19 | C14 | 129.1° | 125.9° |
| C19 | C21 | H23 | 109.5° | 109.5° |
| C19 | C21 | H24 | 109.5° | 109.4° |
| C19 | C21 | H25 | 109.5° | 109.5° |
| C19 | N05 | N04 | 103.2° | 108.2° |
| N05 | C19 | C14 | 111.4° | 108.2° |
| N05 | N04 | C17 | 113.7° | 107.9° |
| N05 | N04 | H26 | 123.1° | 126.1° |
| C19 | C14 | C17 | 107.1° | 107.9° |
| C19 | C14 | C07 | 126.6° | 126.0° |
| O03 | C09 | N02 | 122.5° | 120.0° |
| O03 | C09 | C03 | 120.3° | 120.1° |
| N04 | C17 | C14 | 104.6° | 107.8° |
| N04 | C17 | C20 | 121.9° | 126.1° |
| C17 | N04 | H26 | 123.1° | 126.0° |
| C17 | C14 | C07 | 126.3° | 126.1° |
| C14 | C17 | C20 | 133.5° | 126.1° |
| C14 | C07 | C05 | 113.5° | 109.5° |
| C14 | C07 | H4 | 108.4° | 109.4° |
| C14 | C07 | H5 | 108.4° | 109.5° |
| N02 | C08 | C10 | 104.0° | 105.0° |
| C08 | N02 | C09 | 127.1° | 125.7° |
| C08 | N02 | O01 | 110.5° | 108.7° |
| N02 | C08 | H6 | 110.8° | 110.3° |
| N02 | C08 | H7 | 110.8° | 110.3° |
| C08 | C10 | O02 | 109.8° | 111.0° |
| C08 | C10 | C13 | 101.6° | 101.7° |
| C10 | C08 | H6 | 110.8° | 110.3° |
| C10 | C08 | H7 | 110.9° | 110.4° |
| C08 | C10 | H8 | 111.5° | 111.0° |
| N02 | C09 | C03 | 117.2° | 120.0° |
| C09 | N02 | O01 | 121.0° | 125.6° |
| C09 | C03 | C05 | 121.9° | 122.9° |
| C09 | C03 | C01 | 126.1° | 122.9° |
| C17 | C20 | H20 | 109.5° | 109.5° |
| C17 | C20 | H21 | 109.5° | 109.5° |
| C17 | C20 | H22 | 109.5° | 109.4° |
| C07 | C05 | C03 | 129.2° | 124.5° |
| C07 | C05 | S01 | 119.0° | 124.5° |
| C05 | C07 | H4 | 108.4° | 109.5° |
| C05 | C07 | H5 | 108.5° | 109.5° |
| N02 | O01 | C13 | 106.6° | 107.0° |
| C05 | C03 | C01 | 111.9° | 114.1° |
| C03 | C05 | S01 | 111.9° | 110.9° |
| C03 | C01 | C11 | 128.2° | 129.9° |
| C03 | C01 | C02 | 111.6° | 112.4° |
| C05 | S01 | C02 | 91.8° | 92.4° |
| O02 | C10 | C13 | 109.1° | 110.9° |
| O02 | C10 | H8 | 112.8° | 110.8° |
| C10 | O02 | H27 | 109.5° | 114.0° |
| C10 | C13 | O01 | 105.4° | 102.4° |
| C13 | C10 | H8 | 111.4° | 111.1° |
| C10 | C13 | H9 | 110.5° | 110.8° |
| C10 | C13 | H10 | 110.5° | 110.8° |
| O04 | C11 | C01 | 121.8° | 120.4° |
| O04 | C11 | N03 | 124.8° | 120.5° |
| C11 | C01 | C02 | 120.2° | 117.7° |
| C01 | C11 | N03 | 113.4° | 119.1° |
| C01 | C02 | S01 | 112.8° | 110.2° |
| C01 | C02 | N01 | 125.6° | 119.2° |
| C16 | C06 | C15 | 109.9° | 109.5° |
| C16 | C06 | C04 | 111.6° | 109.5° |
| C16 | C06 | H3 | 108.4° | 109.4° |
| C06 | C16 | H14 | 109.5° | 109.5° |
| C06 | C16 | H15 | 109.4° | 109.5° |
| C06 | C16 | H16 | 109.5° | 109.5° |
| C11 | N03 | C18 | 116.5° | 119.6° |
| C11 | N03 | C12 | 126.9° | 120.8° |
| O01 | C13 | H9 | 110.5° | 110.9° |
| O01 | C13 | H10 | 110.5° | 111.0° |
| S01 | C02 | N01 | 121.6° | 130.6° |
| C02 | N01 | C12 | 117.7° | 121.3° |
| C02 | N01 | C04 | 123.3° | 119.4° |
| C18 | N03 | C12 | 116.6° | 119.5° |
| N03 | C18 | H17 | 109.5° | 109.4° |
| N03 | C18 | H18 | 109.5° | 109.5° |
| N03 | C18 | H19 | 109.5° | 109.5° |
| N03 | C12 | N01 | 116.2° | 121.9° |
| N03 | C12 | O05 | 121.5° | 119.0° |
| C15 | C06 | C04 | 110.0° | 109.5° |
| C15 | C06 | H3 | 108.4° | 109.5° |
| C06 | C15 | H11 | 109.5° | 109.5° |
| C06 | C15 | H12 | 109.4° | 109.4° |
| C06 | C15 | H13 | 109.4° | 109.5° |
| C06 | C04 | N01 | 112.4° | 109.5° |
| C06 | C04 | H1 | 108.7° | 109.5° |
| C06 | C04 | H2 | 108.7° | 109.5° |
| C04 | C06 | H3 | 108.4° | 109.5° |
| C12 | N01 | C04 | 119.0° | 119.4° |
| N01 | C12 | O05 | 122.3° | 119.1° |
| N01 | C04 | H1 | 108.7° | 109.5° |
| N01 | C04 | H2 | 108.7° | 109.5° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 110.4° |
| H9 | C13 | H10 | 109.5° | 110.7° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H16 | 109.4° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.4° | 109.4° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.4° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C19 | N05 | C14 | 179.9° | 180.0° |
| C21 | C19 | N05 | N04 | 180.0° | 179.7° |
| C21 | C19 | C14 | C17 | 180.0° | 179.9° |
| C21 | C19 | C14 | C07 | 0.1° | 0.3° |
| C19 | C21 | H23 | H24 | 120.0° | 119.9° |
| C19 | C21 | H23 | H25 | 120.0° | 120.0° |
| C19 | C21 | H24 | H25 | 120.0° | 120.0° |
| C19 | N05 | N04 | C17 | 0.1° | 0.4° |
| N05 | C19 | C14 | C17 | 0.1° | 0.0° |
| N05 | C19 | C14 | C07 | 180.0° | 179.8° |
| N05 | C19 | C21 | H23 | 0.0° | 84.4° |
| N05 | C19 | C21 | H24 | 120.0° | 35.6° |
| N05 | C19 | C21 | H25 | 120.0° | 155.6° |
| C19 | N05 | N04 | H26 | 180.0° | 179.9° |
| N04 | N05 | C19 | C14 | 0.1° | 0.3° |
| N05 | N04 | C17 | H26 | 180.0° | 179.5° |
| N05 | N04 | C17 | C14 | 0.0° | 0.4° |
| N05 | N04 | C17 | C20 | 179.9° | 179.6° |
| C19 | C14 | C17 | N04 | 0.0° | 0.2° |
| C19 | C14 | C17 | C07 | 179.9° | 179.8° |
| C19 | C14 | C17 | C20 | 180.0° | 179.7° |
| C19 | C14 | C07 | C05 | 74.9° | 81.2° |
| C19 | C14 | C07 | H4 | 45.6° | 158.8° |
| C19 | C14 | C07 | H5 | 164.4° | 38.8° |
| C14 | C19 | C21 | H23 | 179.9° | 95.6° |
| C14 | C19 | C21 | H24 | 59.9° | 144.4° |
| C14 | C19 | C21 | H25 | 60.1° | 24.4° |
| O03 | C09 | N02 | C08 | 0.0° | 4.3° |
| O03 | C09 | N02 | C03 | 179.6° | 180.0° |
| O03 | C09 | N02 | O01 | 165.2° | 175.8° |
| O03 | C09 | C03 | C05 | 89.7° | 98.7° |
| O03 | C09 | C03 | C01 | 90.5° | 80.9° |
| N04 | C17 | C14 | C20 | 180.0° | 180.0° |
| N04 | C17 | C14 | C07 | 180.0° | 180.0° |
| N04 | C17 | C20 | H20 | 90.1° | 90.0° |
| N04 | C17 | C20 | H21 | 150.0° | 30.0° |
| N04 | C17 | C20 | H22 | 30.0° | 150.0° |
| C17 | C14 | C07 | C05 | 105.0° | 99.0° |
| C17 | C14 | C07 | H4 | 134.4° | 21.0° |
| C17 | C14 | C07 | H5 | 15.6° | 141.0° |
| C14 | C17 | C20 | H20 | 90.0° | 90.0° |
| C14 | C17 | C20 | H21 | 30.0° | 150.0° |
| C14 | C17 | C20 | H22 | 149.9° | 30.1° |
| C14 | C17 | N04 | H26 | 180.0° | 179.9° |
| C07 | C14 | C17 | C20 | 0.1° | 0.1° |
| C14 | C07 | C05 | H4 | 120.6° | 120.0° |
| C14 | C07 | C05 | H5 | 120.6° | 120.0° |
| C14 | C07 | C05 | C03 | 134.9° | 100.7° |
| C14 | C07 | C05 | S01 | 44.9° | 79.6° |
| C14 | C07 | H4 | H5 | 118.1° | 120.0° |
| N02 | C08 | C10 | H6 | 119.1° | 118.8° |
| N02 | C08 | C10 | H7 | 119.1° | 118.9° |
| C08 | N02 | C09 | O01 | 165.2° | 179.9° |
| C08 | N02 | C09 | C03 | 179.6° | 175.6° |
| N02 | C08 | C10 | O02 | 85.5° | 97.9° |
| N02 | C08 | C10 | C13 | 30.0° | 20.2° |
| C08 | N02 | O01 | C13 | 6.1° | 26.5° |
| N02 | C08 | H6 | H7 | 122.5° | 122.2° |
| N02 | C08 | C10 | H8 | 148.7° | 138.4° |
| C10 | C08 | N02 | C09 | 177.7° | 177.6° |
| C10 | C08 | N02 | O01 | 15.9° | 2.5° |
| C08 | C10 | O02 | C13 | 110.5° | 112.3° |
| C08 | C10 | O02 | H8 | 125.1° | 123.8° |
| C08 | C10 | C13 | H8 | 118.9° | 118.2° |
| C08 | C10 | C13 | O01 | 34.4° | 35.5° |
| C10 | C08 | H6 | H7 | 122.6° | 122.2° |
| C08 | C10 | C13 | H9 | 153.8° | 153.8° |
| C08 | C10 | C13 | H10 | 84.9° | 83.0° |
| C08 | C10 | O02 | H27 | 180.0° | 179.9° |
| N02 | C09 | C03 | C05 | 89.9° | 81.3° |
| N02 | C09 | C03 | C01 | 89.9° | 99.1° |
| C09 | N02 | O01 | C13 | 161.3° | 153.5° |
| C09 | N02 | C08 | H6 | 58.6° | 58.7° |
| C09 | N02 | C08 | H7 | 63.2° | 63.5° |
| C09 | C03 | C05 | C07 | 0.1° | 0.3° |
| C03 | C09 | N02 | O01 | 14.4° | 4.3° |
| C09 | C03 | C05 | C01 | 179.8° | 179.7° |
| C09 | C03 | C05 | S01 | 180.0° | 179.9° |
| C09 | C03 | C01 | C11 | 0.2° | 0.3° |
| C09 | C03 | C01 | C02 | 180.0° | 180.0° |
| C17 | C20 | H20 | H21 | 120.0° | 120.0° |
| C17 | C20 | H20 | H22 | 120.0° | 120.0° |
| C17 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C17 | N04 | H26 | 0.0° | 0.0° |
| C07 | C05 | C03 | S01 | 179.9° | 179.7° |
| C07 | C05 | C03 | C01 | 180.0° | 180.0° |
| C07 | C05 | S01 | C02 | 180.0° | 179.8° |
| C05 | C07 | H4 | H5 | 118.2° | 120.0° |
| N02 | O01 | C13 | C10 | 25.6° | 38.8° |
| O01 | N02 | C08 | H6 | 135.0° | 121.3° |
| O01 | N02 | C08 | H7 | 103.3° | 116.5° |
| N02 | O01 | C13 | H9 | 145.0° | 157.1° |
| N02 | O01 | C13 | H10 | 93.7° | 79.5° |
| C05 | C03 | C01 | C11 | 180.0° | 180.0° |
| C05 | C03 | C01 | C02 | 0.2° | 0.4° |
| C03 | C05 | S01 | C02 | 0.1° | 0.1° |
| C03 | C05 | C07 | H4 | 14.3° | 19.3° |
| C03 | C05 | C07 | H5 | 104.5° | 139.3° |
| C01 | C03 | C05 | S01 | 0.2° | 0.3° |
| C03 | C01 | C11 | O04 | 0.2° | 0.3° |
| C03 | C01 | C11 | C02 | 179.8° | 179.6° |
| C03 | C01 | C11 | N03 | 179.9° | 179.6° |
| C03 | C01 | C02 | S01 | 0.1° | 0.3° |
| C03 | C01 | C02 | N01 | 179.9° | 179.7° |
| C05 | S01 | C02 | C01 | 0.0° | 0.1° |
| C05 | S01 | C02 | N01 | 179.8° | 179.8° |
| S01 | C05 | C07 | H4 | 165.5° | 160.4° |
| S01 | C05 | C07 | H5 | 75.7° | 40.4° |
| O02 | C10 | C13 | H8 | 125.2° | 123.7° |
| O02 | C10 | C13 | O01 | 81.5° | 82.6° |
| O02 | C10 | C08 | H6 | 33.6° | 143.3° |
| O02 | C10 | C08 | H7 | 155.4° | 21.0° |
| O02 | C10 | C13 | H9 | 37.8° | 35.7° |
| O02 | C10 | C13 | H10 | 159.2° | 158.9° |
| C10 | C13 | O01 | H9 | 119.3° | 118.3° |
| C10 | C13 | O01 | H10 | 119.3° | 118.3° |
| C13 | C10 | C08 | H6 | 149.1° | 98.7° |
| C13 | C10 | C08 | H7 | 89.2° | 139.1° |
| C10 | C13 | H9 | H10 | 121.9° | 123.3° |
| C13 | C10 | O02 | H27 | 69.5° | 67.6° |
| O04 | C11 | C01 | N03 | 179.9° | 179.9° |
| O04 | C11 | C01 | C02 | 180.0° | 179.9° |
| O04 | C11 | N03 | C18 | 0.4° | 0.1° |
| O04 | C11 | N03 | C12 | 179.7° | 179.9° |
| C11 | C01 | C02 | S01 | 179.9° | 180.0° |
| C11 | C01 | C02 | N01 | 0.3° | 0.0° |
| C01 | C11 | N03 | C18 | 179.7° | 180.0° |
| C01 | C11 | N03 | C12 | 0.2° | 0.0° |
| C02 | C01 | C11 | N03 | 0.1° | 0.0° |
| C01 | C02 | S01 | N01 | 179.8° | 180.0° |
| C01 | C02 | N01 | C12 | 0.2° | 0.0° |
| C01 | C02 | N01 | C04 | 179.8° | 180.0° |
| C16 | C06 | C15 | C04 | 123.3° | 120.0° |
| C16 | C06 | C15 | H3 | 118.4° | 120.0° |
| C16 | C06 | C04 | H3 | 119.3° | 120.0° |
| C16 | C06 | C04 | N01 | 61.4° | 175.0° |
| C16 | C06 | C04 | H1 | 59.1° | 55.0° |
| C16 | C06 | C04 | H2 | 178.2° | 65.0° |
| C16 | C06 | C15 | H11 | 180.0° | 180.0° |
| C16 | C06 | C15 | H12 | 60.0° | 60.0° |
| C16 | C06 | C15 | H13 | 60.0° | 59.9° |
| C06 | C16 | H14 | H15 | 120.0° | 120.0° |
| C06 | C16 | H14 | H16 | 120.0° | 120.0° |
| C06 | C16 | H15 | H16 | 120.0° | 120.0° |
| C11 | N03 | C18 | C12 | 179.9° | 180.0° |
| C11 | N03 | C12 | N01 | 0.2° | 0.0° |
| C11 | N03 | C12 | O05 | 179.8° | 179.9° |
| C11 | N03 | C18 | H17 | 180.0° | 0.0° |
| C11 | N03 | C18 | H18 | 60.0° | 119.9° |
| C11 | N03 | C18 | H19 | 60.0° | 120.0° |
| O01 | C13 | C10 | H8 | 153.3° | 153.6° |
| O01 | C13 | H9 | H10 | 121.9° | 123.6° |
| S01 | C02 | N01 | C12 | 180.0° | 180.0° |
| S01 | C02 | N01 | C04 | 0.1° | 0.0° |
| C02 | N01 | C12 | N03 | 0.0° | 0.0° |
| C02 | N01 | C04 | C06 | 90.0° | 90.0° |
| C02 | N01 | C12 | C04 | 180.0° | 180.0° |
| C02 | N01 | C12 | O05 | 180.0° | 179.9° |
| C02 | N01 | C04 | H1 | 30.5° | 30.0° |
| C02 | N01 | C04 | H2 | 149.6° | 150.0° |
| C18 | N03 | C12 | N01 | 179.6° | 180.0° |
| C18 | N03 | C12 | O05 | 0.4° | 0.0° |
| N03 | C18 | H17 | H18 | 120.0° | 119.9° |
| N03 | C18 | H17 | H19 | 120.0° | 120.0° |
| N03 | C18 | H18 | H19 | 120.0° | 120.1° |
| N03 | C12 | N01 | O05 | 180.0° | 179.9° |
| N03 | C12 | N01 | C04 | 179.9° | 180.0° |
| C12 | N03 | C18 | H17 | 0.1° | 180.0° |
| C12 | N03 | C18 | H18 | 119.9° | 60.1° |
| C12 | N03 | C18 | H19 | 120.1° | 60.0° |
| C15 | C06 | C04 | H3 | 118.4° | 120.0° |
| C15 | C06 | C04 | N01 | 60.9° | 65.0° |
| C15 | C06 | C04 | H1 | 178.6° | 175.0° |
| C15 | C06 | C04 | H2 | 59.5° | 55.0° |
| C06 | C15 | H11 | H12 | 120.0° | 120.0° |
| C06 | C15 | H11 | H13 | 120.0° | 120.0° |
| C06 | C15 | H12 | H13 | 120.0° | 119.9° |
| C15 | C06 | C16 | H14 | 180.0° | 180.0° |
| C15 | C06 | C16 | H15 | 60.0° | 60.0° |
| C15 | C06 | C16 | H16 | 60.0° | 60.0° |
| C06 | C04 | N01 | C12 | 90.0° | 90.0° |
| C06 | C04 | N01 | H1 | 120.5° | 120.0° |
| C06 | C04 | N01 | H2 | 120.5° | 120.0° |
| C06 | C04 | H1 | H2 | 118.7° | 120.0° |
| C04 | C06 | C15 | H11 | 56.7° | 60.0° |
| C04 | C06 | C15 | H12 | 176.7° | 60.0° |
| C04 | C06 | C15 | H13 | 63.3° | 180.0° |
| C04 | C06 | C16 | H14 | 57.7° | 60.0° |
| C04 | C06 | C16 | H15 | 62.4° | 180.0° |
| C04 | C06 | C16 | H16 | 177.7° | 60.0° |
| C12 | N01 | C04 | H1 | 149.5° | 150.0° |
| C12 | N01 | C04 | H2 | 30.5° | 30.0° |
| C04 | N01 | C12 | O05 | 0.1° | 0.1° |
| N01 | C04 | H1 | H2 | 118.6° | 120.0° |
| N01 | C04 | C06 | H3 | 179.3° | 55.0° |
| H1 | C04 | C06 | H3 | 60.2° | 65.0° |
| H2 | C04 | C06 | H3 | 58.9° | 175.0° |
| H3 | C06 | C15 | H11 | 61.7° | 60.0° |
| H3 | C06 | C15 | H12 | 58.3° | 180.0° |
| H3 | C06 | C15 | H13 | 178.4° | 60.0° |
| H3 | C06 | C16 | H14 | 61.6° | 60.0° |
| H3 | C06 | C16 | H15 | 178.3° | 60.0° |
| H3 | C06 | C16 | H16 | 58.4° | 180.0° |
| H6 | C08 | C10 | H8 | 92.2° | 19.6° |
| H7 | C08 | C10 | H8 | 29.6° | 102.7° |
| H8 | C10 | C13 | H9 | 87.4° | 88.1° |
| H8 | C10 | C13 | H10 | 33.9° | 35.2° |
| H8 | C10 | O02 | H27 | 54.9° | 56.2° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C18 | H18 | H19 | 120.0° | 120.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
