JJI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C01 | C18 | sing | 1.53Å | 1.53Å | |
| C01 | N01 | sing | 1.48Å | 1.43Å | |
| C02 | N02 | doub | 1.29Å | 1.34Å | Aromatic |
| C02 | S01 | sing | 1.71Å | 1.66Å | Aromatic |
| C03 | C04 | doub | 1.35Å | 1.39Å | Aromatic |
| C03 | C05 | sing | 1.47Å | 1.54Å | |
| C03 | N02 | sing | 1.34Å | 1.37Å | Aromatic |
| C04 | S01 | sing | 1.71Å | 1.69Å | Aromatic |
| C05 | N03 | sing | 1.36Å | 1.43Å | |
| C05 | O01 | doub | 1.22Å | 1.18Å | |
| C06 | C07 | sing | 1.51Å | 1.49Å | |
| C06 | C16 | sing | 1.53Å | 1.51Å | |
| C06 | N03 | sing | 1.48Å | 1.43Å | |
| C07 | N04 | doub | 1.29Å | 1.33Å | Aromatic |
| C07 | S02 | sing | 1.71Å | 1.65Å | Aromatic |
| C08 | C09 | doub | 1.35Å | 1.39Å | Aromatic |
| C08 | C10 | sing | 1.47Å | 1.52Å | |
| C08 | N04 | sing | 1.34Å | 1.38Å | Aromatic |
| C09 | S02 | sing | 1.71Å | 1.69Å | Aromatic |
| C10 | N05 | sing | 1.36Å | 1.42Å | |
| C10 | O02 | doub | 1.22Å | 1.17Å | |
| C11 | C12 | sing | 1.51Å | 1.47Å | |
| C11 | C17 | sing | 1.53Å | 1.51Å | |
| C11 | N05 | sing | 1.48Å | 1.40Å | |
| C12 | N06 | doub | 1.29Å | 1.31Å | Aromatic |
| C12 | S03 | sing | 1.71Å | 1.64Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.38Å | Aromatic |
| C13 | C15 | sing | 1.47Å | 1.50Å | |
| C13 | N06 | sing | 1.34Å | 1.35Å | Aromatic |
| C14 | S03 | sing | 1.71Å | 1.69Å | Aromatic |
| C15 | N01 | sing | 1.36Å | 1.41Å | |
| C15 | O03 | doub | 1.22Å | 1.16Å | |
| C18 | S04 | sing | 1.81Å | 1.82Å | |
| S04 | S | sing | 2.05Å | 1.87Å | |
| S | C1 | sing | 1.76Å | 1.80Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | N2 | sing | 1.48Å | 1.45Å | |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | O21 | doub | 1.22Å | 1.40Å | |
| N2 | O22 | sing | 1.22Å | 1.41Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | N4 | sing | 1.48Å | 1.44Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | O41 | doub | 1.22Å | 1.40Å | |
| N4 | O42 | sing | 1.22Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| N03 | H16 | sing | 0.97Å | 1.00Å | |
| N05 | H17 | sing | 0.97Å | 1.00Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C18 | 111.6° | 109.8° |
| C02 | C01 | N01 | 101.6° | 107.8° |
| C01 | C02 | N02 | 126.2° | 124.1° |
| C01 | C02 | S01 | 128.8° | 125.3° |
| C02 | C01 | H5 | 110.8° | 109.8° |
| C18 | C01 | N01 | 109.5° | 109.8° |
| C01 | C18 | S04 | 109.7° | 109.5° |
| C18 | C01 | H5 | 110.8° | 109.8° |
| C01 | C18 | H13 | 109.4° | 109.5° |
| C01 | C18 | H14 | 109.4° | 109.5° |
| C01 | N01 | C15 | 111.3° | 116.8° |
| N01 | C01 | H5 | 112.2° | 109.8° |
| C01 | N01 | H15 | 124.3° | 121.6° |
| N02 | C02 | S01 | 105.0° | 110.6° |
| C02 | N02 | C03 | 118.2° | 115.7° |
| C02 | S01 | C04 | 99.1° | 91.1° |
| C04 | C03 | C05 | 122.8° | 123.8° |
| C04 | C03 | N02 | 113.1° | 113.8° |
| C03 | C04 | S01 | 104.6° | 108.8° |
| C03 | C04 | H19 | 127.7° | 125.6° |
| C05 | C03 | N02 | 124.1° | 122.4° |
| C03 | C05 | N03 | 113.7° | 117.7° |
| C03 | C05 | O01 | 123.5° | 121.2° |
| S01 | C04 | H19 | 127.7° | 125.6° |
| N03 | C05 | O01 | 122.8° | 121.1° |
| C05 | N03 | C06 | 131.8° | 116.8° |
| C05 | N03 | H16 | 114.1° | 121.6° |
| C07 | C06 | C16 | 116.4° | 109.7° |
| C07 | C06 | N03 | 107.9° | 108.2° |
| C06 | C07 | N04 | 129.2° | 124.3° |
| C06 | C07 | S02 | 123.3° | 125.1° |
| C07 | C06 | H6 | 102.6° | 109.7° |
| C16 | C06 | N03 | 121.3° | 109.7° |
| C16 | C06 | H6 | 102.5° | 109.7° |
| C06 | C16 | H10 | 109.5° | 109.5° |
| C06 | C16 | H11 | 109.5° | 109.5° |
| C06 | C16 | H12 | 109.5° | 109.5° |
| N03 | C06 | H6 | 103.2° | 109.7° |
| C06 | N03 | H16 | 114.1° | 121.6° |
| N04 | C07 | S02 | 107.4° | 110.6° |
| C07 | N04 | C08 | 116.1° | 115.7° |
| C07 | S02 | C09 | 97.7° | 91.1° |
| C09 | C08 | C10 | 120.3° | 123.8° |
| C09 | C08 | N04 | 113.7° | 113.8° |
| C08 | C09 | S02 | 105.1° | 108.8° |
| C08 | C09 | H7 | 127.4° | 125.6° |
| C10 | C08 | N04 | 125.9° | 122.4° |
| C08 | C10 | N05 | 126.7° | 117.5° |
| C08 | C10 | O02 | 118.2° | 121.3° |
| S02 | C09 | H7 | 127.5° | 125.6° |
| N05 | C10 | O02 | 115.1° | 121.2° |
| C10 | N05 | C11 | 119.7° | 116.9° |
| C10 | N05 | H17 | 120.2° | 121.5° |
| C12 | C11 | C17 | 97.2° | 109.8° |
| C12 | C11 | N05 | 98.2° | 107.9° |
| C11 | C12 | N06 | 131.7° | 124.2° |
| C11 | C12 | S03 | 119.4° | 125.2° |
| C12 | C11 | H8 | 116.4° | 109.8° |
| C17 | C11 | N05 | 108.3° | 109.8° |
| C17 | C11 | H8 | 115.7° | 109.7° |
| C11 | C17 | H1 | 109.5° | 109.5° |
| C11 | C17 | H2 | 109.5° | 109.5° |
| C11 | C17 | H3 | 109.5° | 109.5° |
| N05 | C11 | H8 | 117.9° | 109.8° |
| C11 | N05 | H17 | 120.1° | 121.5° |
| N06 | C12 | S03 | 108.9° | 110.6° |
| C12 | N06 | C13 | 114.5° | 115.7° |
| C12 | S03 | C14 | 97.1° | 91.1° |
| C14 | C13 | C15 | 123.4° | 123.6° |
| C14 | C13 | N06 | 115.7° | 113.7° |
| C13 | C14 | S03 | 103.8° | 108.8° |
| C13 | C14 | H9 | 128.1° | 125.6° |
| C15 | C13 | N06 | 120.9° | 122.6° |
| C13 | C15 | N01 | 125.1° | 118.0° |
| C13 | C15 | O03 | 118.6° | 121.0° |
| S03 | C14 | H9 | 128.1° | 125.5° |
| N01 | C15 | O03 | 116.3° | 121.0° |
| C15 | N01 | H15 | 124.3° | 121.6° |
| C18 | S04 | S | 122.9° | 103.0° |
| S04 | C18 | H13 | 109.4° | 109.4° |
| S04 | C18 | H14 | 109.4° | 109.4° |
| S04 | S | C1 | 117.7° | 103.0° |
| S | C1 | C2 | 123.3° | 120.1° |
| S | C1 | C6 | 115.5° | 120.1° |
| C2 | C1 | C6 | 121.2° | 119.9° |
| C1 | C2 | N2 | 124.4° | 120.1° |
| C1 | C2 | C3 | 118.9° | 119.9° |
| C1 | C6 | C5 | 119.7° | 119.9° |
| C1 | C6 | H23 | 120.2° | 120.1° |
| N2 | C2 | C3 | 116.7° | 120.0° |
| C2 | N2 | O21 | 120.0° | 120.1° |
| C2 | N2 | O22 | 120.9° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.1° |
| C2 | C3 | H21 | 120.1° | 120.0° |
| O21 | N2 | O22 | 119.1° | 120.0° |
| C3 | C4 | N4 | 118.9° | 120.0° |
| C3 | C4 | C5 | 121.5° | 120.2° |
| C4 | C3 | H21 | 120.1° | 119.9° |
| N4 | C4 | C5 | 119.6° | 119.9° |
| C4 | N4 | O41 | 118.2° | 120.0° |
| C4 | N4 | O42 | 119.6° | 120.0° |
| C4 | C5 | C6 | 119.1° | 120.1° |
| C4 | C5 | H22 | 120.5° | 120.0° |
| O41 | N4 | O42 | 122.2° | 120.0° |
| C6 | C5 | H22 | 120.5° | 119.9° |
| C5 | C6 | H23 | 120.2° | 120.0° |
| H10 | C16 | H11 | 109.4° | 109.4° |
| H10 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H1 | C17 | H2 | 109.5° | 109.4° |
| H1 | C17 | H3 | 109.4° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C18 | N01 | 111.7° | 118.4° |
| C02 | C01 | C18 | H5 | 124.0° | 120.8° |
| C02 | C01 | N01 | H5 | 118.4° | 119.6° |
| C01 | C02 | N02 | S01 | 179.9° | 180.0° |
| C01 | C02 | N02 | C03 | 179.2° | 179.9° |
| C01 | C02 | S01 | C04 | 179.8° | 179.9° |
| C02 | C01 | N01 | C15 | 103.5° | 173.7° |
| C02 | C01 | C18 | S04 | 20.4° | 60.6° |
| C02 | C01 | C18 | H13 | 140.4° | 179.4° |
| C02 | C01 | C18 | H14 | 99.7° | 59.3° |
| C02 | C01 | N01 | H15 | 76.5° | 6.3° |
| C18 | C01 | N01 | H5 | 123.4° | 120.8° |
| C18 | C01 | C02 | N02 | 96.0° | 118.0° |
| C18 | C01 | C02 | S01 | 84.1° | 62.0° |
| C18 | C01 | N01 | C15 | 138.3° | 54.1° |
| C01 | C18 | S04 | H13 | 120.0° | 120.0° |
| C01 | C18 | S04 | H14 | 120.0° | 120.0° |
| C01 | C18 | S04 | S | 74.8° | 75.5° |
| C01 | C18 | H13 | H14 | 119.9° | 120.0° |
| C18 | C01 | N01 | H15 | 41.7° | 125.9° |
| N01 | C01 | C02 | N02 | 20.7° | 1.5° |
| N01 | C01 | C02 | S01 | 159.2° | 178.4° |
| C01 | N01 | C15 | C13 | 177.0° | 179.3° |
| C01 | N01 | C15 | H15 | 180.0° | 180.0° |
| C01 | N01 | C15 | O03 | 0.1° | 0.7° |
| N01 | C01 | C18 | S04 | 132.1° | 179.0° |
| N01 | C01 | C18 | H13 | 107.9° | 61.0° |
| N01 | C01 | C18 | H14 | 12.1° | 59.1° |
| C02 | N02 | C03 | C04 | 1.2° | 0.0° |
| C02 | N02 | C03 | C05 | 179.8° | 179.9° |
| N02 | C02 | S01 | C04 | 0.3° | 0.1° |
| N02 | C02 | C01 | H5 | 140.0° | 121.1° |
| C02 | S01 | C04 | C03 | 0.3° | 0.0° |
| S01 | C02 | N02 | C03 | 0.9° | 0.1° |
| S01 | C02 | C01 | H5 | 39.8° | 58.8° |
| C02 | S01 | C04 | H19 | 179.7° | 179.9° |
| C04 | C03 | C05 | N02 | 178.4° | 179.9° |
| C03 | C04 | S01 | H19 | 180.0° | 179.9° |
| C04 | C03 | C05 | N03 | 114.7° | 179.8° |
| C04 | C03 | C05 | O01 | 65.3° | 0.2° |
| C05 | C03 | C04 | S01 | 179.4° | 179.9° |
| C03 | C05 | N03 | O01 | 180.0° | 180.0° |
| C03 | C05 | N03 | C06 | 178.9° | 179.4° |
| C05 | C03 | C04 | H19 | 0.6° | 0.2° |
| C03 | C05 | N03 | H16 | 1.1° | 0.7° |
| N02 | C03 | C04 | S01 | 0.8° | 0.0° |
| N02 | C03 | C05 | N03 | 63.7° | 0.1° |
| N02 | C03 | C05 | O01 | 116.3° | 179.9° |
| N02 | C03 | C04 | H19 | 179.2° | 179.9° |
| C05 | N03 | C06 | C07 | 133.2° | 173.6° |
| C05 | N03 | C06 | C16 | 4.9° | 66.7° |
| C05 | N03 | C06 | H16 | 180.0° | 180.0° |
| C05 | N03 | C06 | H6 | 118.6° | 53.9° |
| O01 | C05 | N03 | C06 | 1.1° | 0.6° |
| O01 | C05 | N03 | H16 | 178.9° | 179.3° |
| C07 | C06 | C16 | N03 | 134.8° | 118.7° |
| C07 | C06 | C16 | H6 | 111.1° | 120.6° |
| C07 | C06 | N03 | H6 | 108.2° | 119.7° |
| C06 | C07 | N04 | S02 | 177.3° | 180.0° |
| C06 | C07 | N04 | C08 | 178.3° | 179.9° |
| C06 | C07 | S02 | C09 | 178.7° | 179.9° |
| C07 | C06 | C16 | H10 | 180.0° | 60.0° |
| C07 | C06 | C16 | H11 | 60.0° | 180.0° |
| C07 | C06 | C16 | H12 | 60.0° | 60.0° |
| C07 | C06 | N03 | H16 | 46.8° | 6.5° |
| C16 | C06 | N03 | H6 | 113.7° | 120.7° |
| C16 | C06 | C07 | N04 | 117.8° | 113.4° |
| C16 | C06 | C07 | S02 | 65.4° | 66.6° |
| C06 | C16 | H10 | H11 | 120.0° | 120.0° |
| C06 | C16 | H10 | H12 | 120.0° | 120.1° |
| C06 | C16 | H11 | H12 | 120.0° | 120.0° |
| C16 | C06 | N03 | H16 | 175.1° | 113.2° |
| N03 | C06 | C07 | N04 | 22.7° | 6.3° |
| N03 | C06 | C07 | S02 | 154.2° | 173.7° |
| N03 | C06 | C16 | H10 | 45.2° | 178.8° |
| N03 | C06 | C16 | H11 | 74.8° | 61.2° |
| N03 | C06 | C16 | H12 | 165.2° | 58.7° |
| C07 | N04 | C08 | C09 | 0.2° | 0.1° |
| C07 | N04 | C08 | C10 | 175.9° | 179.9° |
| N04 | C07 | S02 | C09 | 1.2° | 0.1° |
| N04 | C07 | C06 | H6 | 131.2° | 126.0° |
| C07 | S02 | C09 | C08 | 1.1° | 0.0° |
| S02 | C07 | N04 | C08 | 1.0° | 0.1° |
| S02 | C07 | C06 | H6 | 45.7° | 54.1° |
| C07 | S02 | C09 | H7 | 178.8° | 179.9° |
| C09 | C08 | C10 | N04 | 175.8° | 180.0° |
| C08 | C09 | S02 | H7 | 180.0° | 180.0° |
| C09 | C08 | C10 | N05 | 83.4° | 179.8° |
| C09 | C08 | C10 | O02 | 94.3° | 0.3° |
| C10 | C08 | C09 | S02 | 177.0° | 180.0° |
| C08 | C10 | N05 | O02 | 177.8° | 179.9° |
| C08 | C10 | N05 | C11 | 2.8° | 179.7° |
| C10 | C08 | C09 | H7 | 3.0° | 0.0° |
| C08 | C10 | N05 | H17 | 177.2° | 0.4° |
| N04 | C08 | C09 | S02 | 0.7° | 0.0° |
| N04 | C08 | C10 | N05 | 100.8° | 0.2° |
| N04 | C08 | C10 | O02 | 81.5° | 179.7° |
| N04 | C08 | C09 | H7 | 179.3° | 180.0° |
| C10 | N05 | C11 | C12 | 107.5° | 177.2° |
| C10 | N05 | C11 | C17 | 152.1° | 63.2° |
| C10 | N05 | C11 | H17 | 180.0° | 180.0° |
| C10 | N05 | C11 | H8 | 18.3° | 57.5° |
| O02 | C10 | N05 | C11 | 179.5° | 0.3° |
| O02 | C10 | N05 | H17 | 0.5° | 179.7° |
| C12 | C11 | C17 | N05 | 101.1° | 118.5° |
| C12 | C11 | C17 | H8 | 124.0° | 120.7° |
| C12 | C11 | N05 | H8 | 125.8° | 119.6° |
| C11 | C12 | N06 | S03 | 178.5° | 179.9° |
| C11 | C12 | N06 | C13 | 179.8° | 179.9° |
| C11 | C12 | S03 | C14 | 179.9° | 179.9° |
| C12 | C11 | C17 | H1 | 180.0° | 60.0° |
| C12 | C11 | C17 | H2 | 60.0° | 180.0° |
| C12 | C11 | C17 | H3 | 60.0° | 60.0° |
| C12 | C11 | N05 | H17 | 72.5° | 2.8° |
| C17 | C11 | N05 | H8 | 133.8° | 120.7° |
| C17 | C11 | C12 | N06 | 169.1° | 125.5° |
| C17 | C11 | C12 | S03 | 12.5° | 54.4° |
| C11 | C17 | H1 | H2 | 120.0° | 120.0° |
| C11 | C17 | H1 | H3 | 120.0° | 120.0° |
| C11 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C11 | N05 | H17 | 27.9° | 116.8° |
| N05 | C11 | C12 | N06 | 81.2° | 5.9° |
| N05 | C11 | C12 | S03 | 97.2° | 174.0° |
| N05 | C11 | C17 | H1 | 78.9° | 178.4° |
| N05 | C11 | C17 | H2 | 41.1° | 61.6° |
| N05 | C11 | C17 | H3 | 161.1° | 58.5° |
| C12 | N06 | C13 | C14 | 0.8° | 0.1° |
| C12 | N06 | C13 | C15 | 176.5° | 179.9° |
| N06 | C12 | S03 | C14 | 1.2° | 0.1° |
| N06 | C12 | C11 | H8 | 45.6° | 113.8° |
| C12 | S03 | C14 | C13 | 0.8° | 0.0° |
| S03 | C12 | N06 | C13 | 1.3° | 0.1° |
| S03 | C12 | C11 | H8 | 136.0° | 66.3° |
| C12 | S03 | C14 | H9 | 179.3° | 180.0° |
| C14 | C13 | C15 | N06 | 177.1° | 180.0° |
| C13 | C14 | S03 | H9 | 180.0° | 180.0° |
| C14 | C13 | C15 | N01 | 121.7° | 179.7° |
| C14 | C13 | C15 | O03 | 61.5° | 0.2° |
| C15 | C13 | C14 | S03 | 177.4° | 180.0° |
| C13 | C15 | N01 | O03 | 176.9° | 180.0° |
| C15 | C13 | C14 | H9 | 2.6° | 0.0° |
| C13 | C15 | N01 | H15 | 3.0° | 0.7° |
| N06 | C13 | C14 | S03 | 0.1° | 0.0° |
| N06 | C13 | C15 | N01 | 61.2° | 0.3° |
| N06 | C13 | C15 | O03 | 115.6° | 179.7° |
| N06 | C13 | C14 | H9 | 179.9° | 180.0° |
| C15 | N01 | C01 | H5 | 14.9° | 66.7° |
| O03 | C15 | N01 | H15 | 179.9° | 179.3° |
| C18 | S04 | S | C1 | 178.1° | 84.8° |
| S04 | C18 | C01 | H5 | 103.6° | 60.2° |
| S04 | C18 | H13 | H14 | 119.9° | 119.9° |
| S04 | S | C1 | C2 | 26.0° | 175.2° |
| S04 | S | C1 | C6 | 153.3° | 5.1° |
| S | S04 | C18 | H13 | 165.2° | 44.6° |
| S | S04 | C18 | H14 | 45.3° | 164.5° |
| S | C1 | C2 | C6 | 179.3° | 179.8° |
| S | C1 | C2 | N2 | 0.4° | 0.0° |
| S | C1 | C2 | C3 | 180.0° | 180.0° |
| S | C1 | C6 | C5 | 179.8° | 179.7° |
| S | C1 | C6 | H23 | 0.2° | 0.0° |
| C1 | C2 | N2 | C3 | 179.7° | 180.0° |
| C1 | C2 | N2 | O21 | 93.6° | 174.3° |
| C1 | C2 | N2 | O22 | 88.4° | 5.6° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.6° |
| C1 | C2 | C3 | H21 | 179.3° | 179.9° |
| C2 | C1 | C6 | H23 | 179.5° | 179.7° |
| C6 | C1 | C2 | N2 | 179.7° | 179.7° |
| C6 | C1 | C2 | C3 | 0.7° | 0.3° |
| C1 | C6 | C5 | C4 | 0.3° | 0.6° |
| C1 | C6 | C5 | H23 | 180.0° | 179.7° |
| C1 | C6 | C5 | H22 | 179.8° | 179.7° |
| C2 | N2 | O21 | O22 | 178.0° | 180.0° |
| N2 | C2 | C3 | C4 | 179.6° | 180.0° |
| N2 | C2 | C3 | H21 | 0.4° | 0.0° |
| C3 | C2 | N2 | O21 | 86.7° | 5.6° |
| C3 | C2 | N2 | O22 | 91.3° | 174.4° |
| C2 | C3 | C4 | H21 | 180.0° | 180.0° |
| C2 | C3 | C4 | N4 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C4 | N4 | C5 | 179.3° | 180.0° |
| C3 | C4 | N4 | O41 | 132.7° | 0.0° |
| C3 | C4 | N4 | O42 | 46.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | H22 | 179.7° | 180.0° |
| C4 | N4 | O41 | O42 | 179.6° | 180.0° |
| N4 | C4 | C5 | C6 | 179.6° | 179.8° |
| N4 | C4 | C3 | H21 | 0.1° | 0.0° |
| N4 | C4 | C5 | H22 | 0.4° | 0.0° |
| C5 | C4 | N4 | O41 | 46.6° | 180.0° |
| C5 | C4 | N4 | O42 | 133.7° | 0.0° |
| C4 | C5 | C6 | H22 | 180.0° | 179.7° |
| C5 | C4 | C3 | H21 | 179.5° | 180.0° |
| C4 | C5 | C6 | H23 | 179.8° | 179.7° |
| H5 | C01 | C18 | H13 | 16.4° | 59.8° |
| H5 | C01 | C18 | H14 | 136.3° | 179.9° |
| H5 | C01 | N01 | H15 | 165.1° | 113.3° |
| H6 | C06 | C16 | H10 | 68.9° | 60.6° |
| H6 | C06 | C16 | H11 | 171.1° | 59.4° |
| H6 | C06 | C16 | H12 | 51.1° | 179.3° |
| H6 | C06 | N03 | H16 | 61.4° | 126.1° |
| H8 | C11 | C17 | H1 | 56.0° | 60.8° |
| H8 | C11 | C17 | H2 | 176.0° | 59.2° |
| H8 | C11 | C17 | H3 | 64.0° | 179.3° |
| H8 | C11 | N05 | H17 | 161.7° | 122.5° |
| H10 | C16 | H11 | H12 | 120.0° | 119.9° |
| H1 | C17 | H2 | H3 | 119.9° | 120.0° |
| H22 | C5 | C6 | H23 | 0.2° | 0.0° |
