EJB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | sing | 1.43Å | 1.42Å | |
| O | C7 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.55Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C22 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | N4 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| N4 | C15 | sing | 1.47Å | 1.46Å | |
| C11 | S | sing | 1.81Å | 1.81Å | |
| C9 | O2 | sing | 1.44Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| N5 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | O2 | sing | 1.45Å | 1.41Å | |
| C6 | N3 | sing | 1.47Å | 1.46Å | |
| S | C10 | sing | 1.81Å | 1.80Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| N3 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.34Å | 1.35Å | Aromatic |
| N2 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C2 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.46Å | 1.43Å | Aromatic |
| C3 | C | doub | 1.40Å | 1.41Å | Aromatic |
| N1 | C | sing | 1.33Å | 1.35Å | Aromatic |
| C | N | sing | 1.38Å | 1.34Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| N | H22 | sing | 0.97Å | 1.00Å | |
| N | H23 | sing | 0.97Å | 1.00Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| N4 | H28 | sing | 1.01Å | 1.00Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | C7 | 113.8° | 110.5° |
| O1 | C8 | C9 | 109.2° | 110.5° |
| C8 | O1 | H14 | 109.5° | 114.0° |
| O1 | C8 | H15 | 111.2° | 110.4° |
| O | C7 | C8 | 114.6° | 110.5° |
| O | C7 | C6 | 109.0° | 110.5° |
| O | C7 | H16 | 111.2° | 110.6° |
| C7 | O | H17 | 109.5° | 114.0° |
| C22 | C21 | C20 | 118.4° | 119.2° |
| C21 | C22 | C16 | 120.1° | 118.4° |
| C22 | C21 | H2 | 120.8° | 120.4° |
| C21 | C22 | H3 | 120.0° | 120.8° |
| C21 | C20 | N5 | 123.6° | 120.7° |
| C21 | C20 | H1 | 118.2° | 119.7° |
| C20 | C21 | H2 | 120.8° | 120.4° |
| C14 | C13 | C12 | 112.6° | 109.4° |
| C13 | C14 | N4 | 111.7° | 109.4° |
| C13 | C14 | H8 | 108.9° | 109.5° |
| C13 | C14 | H9 | 108.9° | 109.5° |
| C14 | C13 | H26 | 108.7° | 109.4° |
| C14 | C13 | H27 | 108.7° | 109.4° |
| C13 | C12 | C11 | 113.2° | 109.4° |
| C13 | C12 | H6 | 108.5° | 109.5° |
| C13 | C12 | H7 | 108.5° | 109.5° |
| C12 | C13 | H26 | 108.7° | 109.5° |
| C12 | C13 | H27 | 108.7° | 109.5° |
| C7 | C8 | C9 | 102.9° | 104.1° |
| C8 | C7 | C6 | 102.2° | 104.0° |
| C7 | C8 | H15 | 109.6° | 110.5° |
| C8 | C7 | H16 | 109.6° | 110.5° |
| C8 | C9 | O2 | 105.5° | 104.8° |
| C8 | C9 | C10 | 120.9° | 110.4° |
| C9 | C8 | H15 | 109.7° | 110.6° |
| C8 | C9 | H18 | 107.6° | 110.3° |
| C22 | C16 | C17 | 117.2° | 119.2° |
| C22 | C16 | C15 | 121.0° | 120.4° |
| C16 | C22 | H3 | 120.0° | 120.8° |
| C20 | N5 | C17 | 117.8° | 121.8° |
| N5 | C20 | H1 | 118.2° | 119.6° |
| C14 | N4 | C15 | 112.2° | 111.0° |
| N4 | C14 | H8 | 108.9° | 109.4° |
| N4 | C14 | H9 | 108.9° | 109.5° |
| C14 | N4 | H28 | 108.8° | 111.0° |
| C7 | C6 | O2 | 107.7° | 104.8° |
| C7 | C6 | N3 | 114.4° | 110.4° |
| C6 | C7 | H16 | 109.7° | 110.5° |
| C7 | C6 | H19 | 108.1° | 110.4° |
| C12 | C11 | S | 112.4° | 109.4° |
| C12 | C11 | H4 | 108.8° | 109.4° |
| C12 | C11 | H5 | 108.7° | 109.5° |
| C11 | C12 | H6 | 108.5° | 109.5° |
| C11 | C12 | H7 | 108.6° | 109.5° |
| N4 | C15 | C16 | 113.4° | 109.5° |
| C15 | N4 | H28 | 108.8° | 111.0° |
| N4 | C15 | H30 | 108.5° | 109.5° |
| N4 | C15 | H31 | 108.5° | 109.4° |
| C11 | S | C10 | 102.0° | 103.0° |
| S | C11 | H4 | 108.7° | 109.5° |
| S | C11 | H5 | 108.7° | 109.4° |
| O2 | C9 | C10 | 105.9° | 110.4° |
| C9 | O2 | C6 | 110.9° | 105.3° |
| O2 | C9 | H18 | 108.7° | 110.4° |
| C9 | C10 | S | 111.7° | 109.5° |
| C10 | C9 | H18 | 107.7° | 110.4° |
| C9 | C10 | H24 | 108.9° | 109.5° |
| C9 | C10 | H25 | 108.9° | 109.4° |
| C17 | C16 | C15 | 121.8° | 120.4° |
| C16 | C17 | N5 | 123.0° | 120.7° |
| C16 | C17 | C18 | 121.7° | 119.6° |
| C16 | C15 | H30 | 108.5° | 109.4° |
| C16 | C15 | H31 | 108.5° | 109.5° |
| N5 | C17 | C18 | 115.3° | 119.6° |
| O2 | C6 | N3 | 108.0° | 110.4° |
| O2 | C6 | H19 | 109.7° | 110.3° |
| C6 | N3 | C5 | 126.1° | 125.0° |
| C6 | N3 | C2 | 125.9° | 125.0° |
| N3 | C6 | H19 | 109.0° | 110.4° |
| S | C10 | H24 | 108.9° | 109.5° |
| S | C10 | H25 | 108.9° | 109.5° |
| C17 | C18 | C19 | 113.5° | 109.5° |
| C17 | C18 | H32 | 108.5° | 109.5° |
| C17 | C18 | H33 | 108.5° | 109.4° |
| C5 | N3 | C2 | 108.0° | 110.0° |
| N3 | C5 | C4 | 110.1° | 109.8° |
| N3 | C5 | H20 | 124.9° | 125.1° |
| N3 | C2 | N2 | 126.0° | 134.3° |
| N3 | C2 | C3 | 108.1° | 107.2° |
| C5 | C4 | C3 | 106.8° | 106.9° |
| C4 | C5 | H20 | 125.0° | 125.2° |
| C5 | C4 | H21 | 126.6° | 126.6° |
| C2 | N2 | C1 | 112.3° | 120.7° |
| N2 | C2 | C3 | 125.8° | 118.5° |
| N2 | C1 | N1 | 128.6° | 122.7° |
| N2 | C1 | H13 | 115.7° | 118.6° |
| C18 | C19 | H10 | 109.5° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.4° |
| C19 | C18 | H32 | 108.4° | 109.5° |
| C19 | C18 | H33 | 108.5° | 109.5° |
| C2 | C3 | C4 | 107.0° | 106.2° |
| C2 | C3 | C | 116.0° | 118.7° |
| C1 | N1 | C | 118.4° | 121.0° |
| N1 | C1 | H13 | 115.7° | 118.7° |
| C4 | C3 | C | 137.0° | 135.1° |
| C3 | C4 | H21 | 126.6° | 126.5° |
| C3 | C | N1 | 118.9° | 118.3° |
| C3 | C | N | 122.6° | 120.9° |
| N1 | C | N | 118.5° | 120.8° |
| C | N | H22 | 109.5° | 120.0° |
| C | N | H23 | 109.5° | 119.9° |
| H4 | C11 | H5 | 109.4° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.4° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H22 | N | H23 | 109.5° | 120.0° |
| H24 | C10 | H25 | 109.5° | 109.4° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H30 | C15 | H31 | 109.5° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | C7 | O | 31.5° | 0.0° |
| O1 | C8 | C7 | C9 | 118.0° | 118.6° |
| O1 | C8 | C7 | H15 | 125.3° | 122.5° |
| O1 | C8 | C9 | H15 | 122.1° | 122.7° |
| O1 | C8 | C7 | C6 | 86.2° | 118.6° |
| O1 | C8 | C9 | O2 | 91.4° | 142.6° |
| O1 | C8 | C9 | C10 | 148.7° | 98.5° |
| O1 | C8 | C7 | H16 | 157.4° | 122.7° |
| O1 | C8 | C9 | H18 | 24.6° | 23.8° |
| O | C7 | C8 | C6 | 117.7° | 118.6° |
| O | C7 | C8 | H16 | 125.9° | 122.7° |
| O | C7 | C8 | C9 | 149.5° | 118.6° |
| O | C7 | C6 | H16 | 122.0° | 122.7° |
| O | C7 | C6 | O2 | 145.2° | 142.6° |
| O | C7 | C6 | N3 | 94.8° | 98.6° |
| O | C7 | C8 | H15 | 93.8° | 122.6° |
| O | C7 | C6 | H19 | 26.8° | 23.8° |
| C22 | C21 | C20 | H2 | 180.0° | 179.7° |
| C21 | C22 | C16 | H3 | 180.0° | 179.7° |
| C22 | C21 | C20 | N5 | 0.2° | 0.3° |
| C21 | C22 | C16 | C17 | 0.7° | 0.0° |
| C21 | C22 | C16 | C15 | 177.8° | 180.0° |
| C22 | C21 | C20 | H1 | 179.8° | 179.7° |
| C20 | C21 | C22 | C16 | 0.2° | 0.3° |
| C21 | C20 | N5 | H1 | 180.0° | 180.0° |
| C21 | C20 | N5 | C17 | 0.2° | 0.1° |
| C20 | C21 | C22 | H3 | 179.8° | 180.0° |
| C14 | C13 | C12 | H26 | 120.5° | 120.0° |
| C14 | C13 | C12 | H27 | 120.5° | 119.9° |
| C13 | C14 | N4 | H8 | 120.4° | 120.0° |
| C13 | C14 | N4 | H9 | 120.3° | 120.0° |
| C14 | C13 | C12 | C11 | 114.1° | 180.0° |
| C13 | C14 | N4 | C15 | 155.0° | 180.0° |
| C14 | C13 | C12 | H6 | 6.4° | 60.0° |
| C14 | C13 | C12 | H7 | 125.3° | 60.0° |
| C13 | C14 | H8 | H9 | 119.0° | 120.0° |
| C14 | C13 | H26 | H27 | 118.5° | 120.0° |
| C13 | C14 | N4 | H28 | 34.6° | 56.1° |
| C12 | C13 | C14 | N4 | 65.3° | 180.0° |
| C13 | C12 | C11 | H6 | 120.6° | 120.0° |
| C13 | C12 | C11 | H7 | 120.6° | 120.0° |
| C13 | C12 | C11 | S | 157.0° | 180.0° |
| C13 | C12 | C11 | H4 | 36.5° | 60.0° |
| C13 | C12 | C11 | H5 | 82.6° | 60.0° |
| C13 | C12 | H6 | H7 | 118.3° | 120.0° |
| C12 | C13 | C14 | H8 | 174.3° | 60.0° |
| C12 | C13 | C14 | H9 | 55.0° | 60.0° |
| C12 | C13 | H26 | H27 | 118.6° | 120.1° |
| C7 | C8 | C9 | H15 | 116.6° | 118.7° |
| C8 | C7 | C6 | H16 | 116.3° | 118.7° |
| C7 | C8 | C9 | O2 | 29.9° | 24.0° |
| C7 | C8 | C9 | C10 | 90.0° | 142.8° |
| C8 | C7 | C6 | O2 | 23.5° | 24.0° |
| C8 | C7 | C6 | N3 | 143.5° | 142.8° |
| C7 | C8 | O1 | H14 | 180.0° | 61.5° |
| C8 | C7 | O | H17 | 180.0° | 61.5° |
| C7 | C8 | C9 | H18 | 145.8° | 94.8° |
| C8 | C7 | C6 | H19 | 94.9° | 94.8° |
| C9 | C8 | C7 | C6 | 31.8° | 0.0° |
| C8 | C9 | O2 | C10 | 129.3° | 118.9° |
| C8 | C9 | O2 | H18 | 115.2° | 118.8° |
| C8 | C9 | C10 | H18 | 124.1° | 122.3° |
| C8 | C9 | O2 | C6 | 15.9° | 40.5° |
| C8 | C9 | C10 | S | 12.1° | 175.0° |
| C9 | C8 | O1 | H14 | 65.6° | 176.1° |
| C9 | C8 | C7 | H16 | 84.5° | 118.6° |
| C8 | C9 | C10 | H24 | 132.4° | 55.0° |
| C8 | C9 | C10 | H25 | 108.3° | 65.0° |
| C22 | C16 | C15 | N4 | 22.7° | 100.0° |
| C22 | C16 | C17 | C15 | 178.5° | 180.0° |
| C22 | C16 | C17 | N5 | 0.8° | 0.2° |
| C22 | C16 | C17 | C18 | 177.9° | 180.0° |
| C16 | C22 | C21 | H2 | 179.7° | 180.0° |
| C22 | C16 | C15 | H30 | 143.3° | 140.0° |
| C22 | C16 | C15 | H31 | 97.9° | 19.9° |
| C20 | N5 | C17 | C16 | 0.3° | 0.2° |
| C20 | N5 | C17 | C18 | 178.4° | 180.0° |
| N5 | C20 | C21 | H2 | 179.8° | 180.0° |
| C14 | N4 | C15 | H28 | 120.4° | 124.0° |
| C14 | N4 | C15 | C16 | 75.5° | 180.0° |
| N4 | C14 | H8 | H9 | 119.0° | 120.0° |
| N4 | C14 | C13 | H26 | 174.2° | 60.0° |
| N4 | C14 | C13 | H27 | 55.2° | 60.0° |
| C14 | N4 | C15 | H30 | 45.1° | 60.0° |
| C14 | N4 | C15 | H31 | 163.9° | 60.0° |
| C7 | C6 | O2 | C9 | 5.1° | 40.5° |
| C7 | C6 | O2 | N3 | 124.0° | 118.8° |
| C7 | C6 | O2 | H19 | 117.3° | 118.9° |
| C7 | C6 | N3 | H19 | 121.1° | 122.4° |
| C7 | C6 | N3 | C5 | 27.5° | 95.0° |
| C7 | C6 | N3 | C2 | 152.5° | 85.0° |
| C6 | C7 | C8 | H15 | 148.5° | 118.9° |
| C6 | C7 | O | H17 | 66.2° | 176.1° |
| C12 | C11 | S | H4 | 120.5° | 119.9° |
| C12 | C11 | S | H5 | 120.5° | 120.0° |
| C12 | C11 | S | C10 | 169.7° | 180.0° |
| C12 | C11 | H4 | H5 | 118.6° | 120.0° |
| C11 | C12 | H6 | H7 | 118.3° | 120.0° |
| C11 | C12 | C13 | H26 | 125.4° | 60.0° |
| C11 | C12 | C13 | H27 | 6.3° | 60.1° |
| N4 | C15 | C16 | C17 | 158.9° | 80.0° |
| N4 | C15 | C16 | H30 | 120.6° | 120.0° |
| N4 | C15 | C16 | H31 | 120.6° | 120.0° |
| C15 | N4 | C14 | H8 | 84.6° | 60.0° |
| C15 | N4 | C14 | H9 | 34.7° | 60.0° |
| N4 | C15 | H30 | H31 | 118.2° | 120.0° |
| C11 | S | C10 | C9 | 101.3° | 180.0° |
| S | C11 | H4 | H5 | 118.6° | 120.0° |
| S | C11 | C12 | H6 | 82.5° | 60.0° |
| S | C11 | C12 | H7 | 36.4° | 60.0° |
| C11 | S | C10 | H24 | 138.4° | 60.0° |
| C11 | S | C10 | H25 | 19.1° | 60.0° |
| O2 | C9 | C10 | H18 | 116.2° | 122.3° |
| C9 | O2 | C6 | N3 | 129.0° | 159.3° |
| O2 | C9 | C10 | S | 107.6° | 69.6° |
| O2 | C9 | C8 | H15 | 146.5° | 94.8° |
| C9 | O2 | C6 | H19 | 112.3° | 78.4° |
| O2 | C9 | C10 | H24 | 12.8° | 170.4° |
| O2 | C9 | C10 | H25 | 132.1° | 50.4° |
| C10 | C9 | O2 | C6 | 113.4° | 159.4° |
| C9 | C10 | S | H24 | 120.3° | 120.1° |
| C9 | C10 | S | H25 | 120.3° | 120.0° |
| C10 | C9 | C8 | H15 | 26.6° | 24.1° |
| C9 | C10 | H24 | H25 | 119.0° | 120.0° |
| C16 | C17 | N5 | C18 | 178.7° | 179.8° |
| C16 | C17 | C18 | C19 | 144.1° | 90.0° |
| C17 | C16 | C22 | H3 | 179.3° | 179.8° |
| C17 | C16 | C15 | H30 | 38.3° | 39.9° |
| C17 | C16 | C15 | H31 | 80.5° | 160.0° |
| C16 | C17 | C18 | H32 | 95.4° | 150.0° |
| C16 | C17 | C18 | H33 | 23.4° | 30.0° |
| C15 | C16 | C17 | N5 | 177.7° | 179.8° |
| C15 | C16 | C17 | C18 | 3.6° | 0.0° |
| C15 | C16 | C22 | H3 | 2.2° | 0.2° |
| C16 | C15 | N4 | H28 | 164.1° | 56.1° |
| C16 | C15 | H30 | H31 | 118.2° | 120.1° |
| N5 | C17 | C18 | C19 | 37.2° | 90.2° |
| C17 | N5 | C20 | H1 | 179.8° | 180.0° |
| N5 | C17 | C18 | H32 | 83.4° | 29.7° |
| N5 | C17 | C18 | H33 | 157.8° | 149.8° |
| O2 | C6 | N3 | H19 | 119.1° | 122.3° |
| O2 | C6 | N3 | C5 | 92.3° | 20.4° |
| O2 | C6 | N3 | C2 | 87.7° | 159.7° |
| O2 | C6 | C7 | H16 | 92.8° | 94.7° |
| C6 | O2 | C9 | H18 | 131.1° | 78.3° |
| C6 | N3 | C5 | C2 | 180.0° | 180.0° |
| C6 | N3 | C5 | C4 | 179.4° | 180.0° |
| C6 | N3 | C2 | N2 | 0.9° | 1.0° |
| C6 | N3 | C2 | C3 | 179.3° | 180.0° |
| N3 | C6 | C7 | H16 | 27.2° | 24.1° |
| C6 | N3 | C5 | H20 | 0.6° | 0.0° |
| C10 | S | C11 | H4 | 69.9° | 60.0° |
| C10 | S | C11 | H5 | 49.2° | 60.0° |
| S | C10 | C9 | H18 | 136.2° | 52.7° |
| S | C10 | H24 | H25 | 119.0° | 120.0° |
| C17 | C18 | C19 | H32 | 120.6° | 120.0° |
| C17 | C18 | C19 | H33 | 120.6° | 120.0° |
| C17 | C18 | C19 | H10 | 180.0° | 60.0° |
| C17 | C18 | C19 | H11 | 60.0° | 60.0° |
| C17 | C18 | C19 | H12 | 60.0° | 180.0° |
| C17 | C18 | H32 | H33 | 118.2° | 120.0° |
| N3 | C5 | C4 | H20 | 180.0° | 180.0° |
| C5 | N3 | C2 | N2 | 179.1° | 179.0° |
| C5 | N3 | C2 | C3 | 0.7° | 0.0° |
| N3 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | N3 | C6 | H19 | 148.6° | 142.6° |
| N3 | C5 | C4 | H21 | 179.8° | 180.0° |
| C2 | N3 | C5 | C4 | 0.6° | 0.0° |
| N3 | C2 | N2 | C3 | 179.7° | 178.9° |
| N3 | C2 | N2 | C1 | 179.0° | 179.4° |
| N3 | C2 | C3 | C4 | 0.5° | 0.0° |
| N3 | C2 | C3 | C | 179.5° | 180.0° |
| C2 | N3 | C6 | H19 | 31.3° | 37.4° |
| C2 | N3 | C5 | H20 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H21 | 180.0° | 179.9° |
| C5 | C4 | C3 | C | 179.9° | 180.0° |
| C2 | N2 | C1 | N1 | 0.8° | 0.0° |
| N2 | C2 | C3 | C4 | 179.3° | 179.2° |
| N2 | C2 | C3 | C | 0.7° | 0.8° |
| C2 | N2 | C1 | H13 | 179.3° | 179.7° |
| C1 | N2 | C2 | C3 | 1.2° | 0.5° |
| N2 | C1 | N1 | H13 | 180.0° | 179.7° |
| N2 | C1 | N1 | C | 0.2° | 0.3° |
| C18 | C19 | H10 | H11 | 120.0° | 120.0° |
| C18 | C19 | H10 | H12 | 120.0° | 119.9° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C18 | H32 | H33 | 118.2° | 120.1° |
| C2 | C3 | C4 | C | 180.0° | 180.0° |
| C2 | C3 | C | N1 | 0.4° | 0.5° |
| C2 | C3 | C | N | 178.5° | 179.5° |
| C2 | C3 | C4 | H21 | 179.8° | 180.0° |
| C1 | N1 | C | C3 | 0.8° | 0.0° |
| C1 | N1 | C | N | 178.1° | 180.0° |
| C4 | C3 | C | N1 | 179.6° | 179.5° |
| C4 | C3 | C | N | 1.5° | 0.5° |
| C3 | C4 | C5 | H20 | 179.7° | 180.0° |
| C3 | C | N1 | N | 178.9° | 180.0° |
| C | C3 | C4 | H21 | 0.1° | 0.1° |
| C3 | C | N | H22 | 178.9° | 180.0° |
| C3 | C | N | H23 | 58.9° | 0.1° |
| C | N1 | C1 | H13 | 179.7° | 180.0° |
| N1 | C | N | H22 | 0.0° | 0.0° |
| N1 | C | N | H23 | 120.0° | 179.9° |
| C | N | H22 | H23 | 120.0° | 179.9° |
| H1 | C20 | C21 | H2 | 0.2° | 0.0° |
| H2 | C21 | C22 | H3 | 0.3° | 0.3° |
| H4 | C11 | C12 | H6 | 157.1° | 59.9° |
| H4 | C11 | C12 | H7 | 84.0° | 180.0° |
| H5 | C11 | C12 | H6 | 38.0° | 180.0° |
| H5 | C11 | C12 | H7 | 156.9° | 60.0° |
| H6 | C12 | C13 | H26 | 114.1° | 180.0° |
| H6 | C12 | C13 | H27 | 126.9° | 59.9° |
| H7 | C12 | C13 | H26 | 4.8° | 60.0° |
| H7 | C12 | C13 | H27 | 114.2° | 180.0° |
| H8 | C14 | C13 | H26 | 53.9° | 180.0° |
| H8 | C14 | C13 | H27 | 65.2° | 59.9° |
| H8 | C14 | N4 | H28 | 155.0° | 176.1° |
| H9 | C14 | C13 | H26 | 65.5° | 60.0° |
| H9 | C14 | C13 | H27 | 175.5° | 180.0° |
| H9 | C14 | N4 | H28 | 85.7° | 63.9° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H10 | C19 | C18 | H32 | 59.4° | 180.0° |
| H10 | C19 | C18 | H33 | 59.4° | 59.9° |
| H11 | C19 | C18 | H32 | 179.4° | 60.0° |
| H11 | C19 | C18 | H33 | 60.6° | 180.0° |
| H12 | C19 | C18 | H32 | 60.6° | 60.1° |
| H12 | C19 | C18 | H33 | 179.4° | 60.0° |
| H14 | O1 | C8 | H15 | 55.6° | 61.1° |
| H15 | C8 | C7 | H16 | 32.2° | 0.2° |
| H15 | C8 | C9 | H18 | 97.5° | 146.4° |
| H16 | C7 | O | H17 | 54.9° | 61.2° |
| H16 | C7 | C6 | H19 | 148.8° | 146.5° |
| H18 | C9 | C10 | H24 | 103.4° | 67.3° |
| H18 | C9 | C10 | H25 | 15.9° | 172.7° |
| H20 | C5 | C4 | H21 | 0.3° | 0.1° |
| H28 | N4 | C15 | H30 | 75.3° | 176.0° |
| H28 | N4 | C15 | H31 | 43.6° | 64.0° |
