KIT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.33Å | |
| N3 | C3 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| C | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| O7 | C27 | sing | 1.43Å | 1.42Å | |
| C27 | C26 | sing | 1.55Å | 1.53Å | |
| C27 | C5 | sing | 1.55Å | 1.54Å | |
| N1 | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| O6 | C26 | sing | 1.43Å | 1.42Å | |
| C2 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N4 | C5 | sing | 1.46Å | 1.46Å | |
| C26 | C6 | sing | 1.54Å | 1.52Å | |
| C1 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | O | sing | 1.44Å | 1.42Å | |
| O | C6 | sing | 1.44Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | N5 | sing | 1.47Å | 1.47Å | |
| N7 | C13 | sing | 1.38Å | 1.33Å | |
| O2 | C19 | doub | 1.21Å | 1.23Å | |
| C21 | N12 | sing | 1.48Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| N12 | C22 | sing | 1.36Å | 1.33Å | |
| C13 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| N8 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | N11 | sing | 1.36Å | 1.33Å | |
| N5 | C23 | sing | 1.47Å | 1.46Å | |
| N5 | C8 | sing | 1.47Å | 1.46Å | |
| N6 | C12 | sing | 1.35Å | 1.40Å | Aromatic |
| N6 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | O3 | doub | 1.21Å | 1.22Å | |
| C12 | C15 | doub | 1.41Å | 1.38Å | Aromatic |
| C18 | N11 | sing | 1.48Å | 1.45Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.44Å | 1.45Å | |
| C11 | N10 | sing | 1.37Å | 1.41Å | Aromatic |
| C14 | N9 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C9 | trip | 1.21Å | 1.20Å | |
| C15 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.47Å | |
| O1 | C17 | sing | 1.43Å | 1.45Å | |
| O1 | C16 | sing | 1.43Å | 1.42Å | |
| N10 | C16 | sing | 1.46Å | 1.45Å | |
| C17 | C24 | sing | 1.54Å | 1.52Å | |
| C16 | C25 | sing | 1.54Å | 1.53Å | |
| C25 | C24 | sing | 1.54Å | 1.52Å | |
| C25 | O5 | sing | 1.43Å | 1.42Å | |
| C24 | O4 | sing | 1.43Å | 1.42Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| O5 | H30 | sing | 0.97Å | 0.95Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| N11 | H21 | sing | 0.97Å | 1.00Å | |
| N12 | H26 | sing | 0.97Å | 1.00Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| N7 | H16 | sing | 0.97Å | 1.00Å | |
| O6 | H31 | sing | 0.97Å | 0.95Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C3 | 123.8° | 120.7° |
| N | C | N1 | 118.5° | 120.8° |
| C | N | H9 | 109.5° | 120.0° |
| C | N | H8 | 109.5° | 120.0° |
| C3 | N3 | C4 | 103.6° | 109.4° |
| N3 | C3 | C | 132.4° | 134.7° |
| N3 | C3 | C2 | 110.8° | 107.2° |
| N3 | C4 | N4 | 114.0° | 110.0° |
| N3 | C4 | H11 | 123.0° | 125.0° |
| C3 | C | N1 | 117.7° | 118.5° |
| C | C3 | C2 | 116.7° | 118.1° |
| C | N1 | C1 | 118.8° | 121.2° |
| C3 | C2 | N4 | 105.7° | 106.0° |
| C3 | C2 | N2 | 126.7° | 119.1° |
| C4 | N4 | C2 | 105.8° | 107.5° |
| C4 | N4 | C5 | 127.4° | 126.2° |
| N4 | C4 | H11 | 123.0° | 125.1° |
| O7 | C27 | C26 | 110.7° | 110.5° |
| O7 | C27 | C5 | 110.1° | 110.5° |
| O7 | C27 | H7 | 112.0° | 110.6° |
| C27 | O7 | H32 | 109.5° | 114.0° |
| C26 | C27 | C5 | 103.2° | 104.0° |
| C27 | C26 | O6 | 111.4° | 110.6° |
| C27 | C26 | C6 | 102.1° | 104.1° |
| C27 | C26 | H6 | 109.1° | 110.5° |
| C26 | C27 | H7 | 110.3° | 110.5° |
| C27 | C5 | N4 | 112.8° | 110.5° |
| C27 | C5 | O | 107.2° | 104.8° |
| C27 | C5 | H | 108.1° | 110.3° |
| C5 | C27 | H7 | 110.2° | 110.5° |
| N1 | C1 | N2 | 128.8° | 122.4° |
| N1 | C1 | H10 | 115.6° | 118.8° |
| O6 | C26 | C6 | 114.0° | 110.5° |
| O6 | C26 | H6 | 110.6° | 110.4° |
| C26 | O6 | H31 | 109.5° | 114.0° |
| N4 | C2 | N2 | 127.5° | 134.9° |
| C2 | N4 | C5 | 126.8° | 126.3° |
| C2 | N2 | C1 | 111.2° | 120.7° |
| N4 | C5 | O | 109.9° | 110.4° |
| N4 | C5 | H | 109.1° | 110.3° |
| C26 | C6 | O | 102.9° | 104.8° |
| C26 | C6 | C7 | 110.8° | 110.4° |
| C26 | C6 | H1 | 110.1° | 110.5° |
| C6 | C26 | H6 | 109.2° | 110.5° |
| N2 | C1 | H10 | 115.6° | 118.8° |
| C5 | O | C6 | 105.1° | 105.3° |
| O | C5 | H | 109.7° | 110.4° |
| O | C6 | C7 | 111.3° | 110.3° |
| O | C6 | H1 | 111.3° | 110.4° |
| C6 | C7 | N5 | 113.0° | 109.5° |
| C6 | C7 | H13 | 108.6° | 109.5° |
| C6 | C7 | H12 | 108.6° | 109.5° |
| C7 | C6 | H1 | 110.3° | 110.3° |
| C7 | N5 | C23 | 109.5° | 111.0° |
| C7 | N5 | C8 | 115.1° | 111.0° |
| N5 | C7 | H13 | 108.6° | 109.5° |
| N5 | C7 | H12 | 108.6° | 109.4° |
| N7 | C13 | N8 | 118.1° | 120.8° |
| N7 | C13 | C12 | 124.1° | 120.8° |
| C13 | N7 | H17 | 109.5° | 120.0° |
| C13 | N7 | H16 | 109.5° | 120.0° |
| O2 | C19 | C20 | 121.5° | 120.7° |
| O2 | C19 | N11 | 123.3° | 120.7° |
| N12 | C21 | C20 | 111.4° | 108.9° |
| C21 | N12 | C22 | 122.6° | 116.2° |
| N12 | C21 | H24 | 109.0° | 109.5° |
| N12 | C21 | H25 | 109.0° | 109.5° |
| C21 | N12 | H26 | 118.7° | 121.9° |
| C21 | C20 | C19 | 111.1° | 109.7° |
| C21 | C20 | H22 | 109.1° | 109.4° |
| C21 | C20 | H23 | 109.1° | 109.4° |
| C20 | C21 | H24 | 109.0° | 109.5° |
| C20 | C21 | H25 | 109.0° | 109.6° |
| N12 | C22 | C23 | 115.9° | 118.8° |
| N12 | C22 | O3 | 122.9° | 120.6° |
| C22 | N12 | H26 | 118.7° | 121.9° |
| N8 | C13 | C12 | 117.8° | 118.3° |
| C13 | N8 | C14 | 118.7° | 121.1° |
| C13 | C12 | N6 | 131.9° | 134.2° |
| C13 | C12 | C15 | 116.9° | 118.4° |
| N8 | C14 | N9 | 128.8° | 122.6° |
| N8 | C14 | H18 | 115.6° | 118.7° |
| C20 | C19 | N11 | 115.1° | 118.6° |
| C19 | C20 | H22 | 109.0° | 109.4° |
| C19 | C20 | H23 | 109.0° | 109.5° |
| C19 | N11 | C18 | 123.1° | 116.4° |
| C19 | N11 | H21 | 118.5° | 121.9° |
| C23 | N5 | C8 | 112.7° | 111.1° |
| N5 | C23 | C22 | 113.2° | 109.3° |
| N5 | C23 | H27 | 108.5° | 109.5° |
| N5 | C23 | H28 | 108.5° | 109.5° |
| N5 | C8 | C9 | 114.9° | 109.3° |
| N5 | C8 | H15 | 108.1° | 109.6° |
| N5 | C8 | H14 | 108.1° | 109.5° |
| C12 | N6 | C11 | 104.2° | 109.4° |
| N6 | C12 | C15 | 111.2° | 107.4° |
| N6 | C11 | C10 | 124.5° | 125.3° |
| N6 | C11 | N10 | 112.9° | 109.9° |
| C23 | C22 | O3 | 121.3° | 120.6° |
| C22 | C23 | H27 | 108.5° | 109.5° |
| C22 | C23 | H28 | 108.5° | 109.5° |
| C12 | C15 | N9 | 126.6° | 118.7° |
| C12 | C15 | N10 | 106.3° | 106.1° |
| N11 | C18 | C17 | 114.4° | 109.1° |
| N11 | C18 | H20 | 108.2° | 109.5° |
| N11 | C18 | H19 | 108.2° | 109.5° |
| C18 | N11 | H21 | 118.4° | 121.8° |
| C18 | C17 | O1 | 102.0° | 109.7° |
| C18 | C17 | C24 | 118.3° | 110.1° |
| C18 | C17 | H3 | 110.1° | 109.7° |
| C17 | C18 | H20 | 108.2° | 109.6° |
| C17 | C18 | H19 | 108.2° | 109.5° |
| C10 | C11 | N10 | 122.6° | 124.8° |
| C11 | C10 | C9 | 175.6° | 151.9° |
| C11 | N10 | C15 | 105.5° | 107.1° |
| C11 | N10 | C16 | 130.0° | 126.4° |
| C14 | N9 | C15 | 111.3° | 120.9° |
| N9 | C14 | H18 | 115.6° | 118.8° |
| C10 | C9 | C8 | 173.8° | 153.6° |
| N9 | C15 | N10 | 127.1° | 135.2° |
| C15 | N10 | C16 | 124.6° | 126.4° |
| C9 | C8 | H15 | 108.1° | 109.5° |
| C9 | C8 | H14 | 108.1° | 109.5° |
| C17 | O1 | C16 | 109.8° | 109.4° |
| O1 | C17 | C24 | 105.0° | 107.6° |
| O1 | C17 | H3 | 111.1° | 109.8° |
| O1 | C16 | N10 | 110.7° | 110.8° |
| O1 | C16 | C25 | 106.9° | 107.3° |
| O1 | C16 | H2 | 108.1° | 109.3° |
| N10 | C16 | C25 | 116.4° | 110.3° |
| N10 | C16 | H2 | 107.7° | 109.6° |
| C17 | C24 | C25 | 102.4° | 105.4° |
| C17 | C24 | O4 | 105.5° | 110.4° |
| C24 | C17 | H3 | 110.0° | 109.9° |
| C17 | C24 | H4 | 111.8° | 110.3° |
| C16 | C25 | C24 | 100.4° | 104.4° |
| C16 | C25 | O5 | 109.8° | 110.4° |
| C25 | C16 | H2 | 106.8° | 109.4° |
| C16 | C25 | H5 | 110.7° | 110.5° |
| C24 | C25 | O5 | 112.5° | 110.4° |
| C25 | C24 | O4 | 111.3° | 110.3° |
| C25 | C24 | H4 | 111.7° | 110.2° |
| C24 | C25 | H5 | 110.7° | 110.5° |
| C25 | O5 | H30 | 109.5° | 114.0° |
| O5 | C25 | H5 | 112.2° | 110.5° |
| C24 | O4 | H29 | 109.5° | 114.0° |
| O4 | C24 | H4 | 113.4° | 110.2° |
| H13 | C7 | H12 | 109.5° | 109.5° |
| H15 | C8 | H14 | 109.5° | 109.4° |
| H9 | N | H8 | 109.5° | 120.0° |
| H20 | C18 | H19 | 109.5° | 109.6° |
| H22 | C20 | H23 | 109.5° | 109.4° |
| H24 | C21 | H25 | 109.5° | 109.7° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H17 | N7 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C3 | N3 | 0.4° | 0.0° |
| N | C | C3 | N1 | 179.6° | 180.0° |
| N | C | C3 | C2 | 179.2° | 180.0° |
| N | C | N1 | C1 | 179.5° | 180.0° |
| C | N | H9 | H8 | 120.0° | 180.0° |
| N3 | C3 | C | C2 | 178.8° | 180.0° |
| N3 | C3 | C | N1 | 179.2° | 180.0° |
| C3 | N3 | C4 | N4 | 0.0° | 0.0° |
| N3 | C3 | C2 | N4 | 0.2° | 0.0° |
| N3 | C3 | C2 | N2 | 179.4° | 180.0° |
| C3 | N3 | C4 | H11 | 180.0° | 180.0° |
| C4 | N3 | C3 | C | 178.7° | 180.0° |
| C4 | N3 | C3 | C2 | 0.1° | 0.0° |
| N3 | C4 | N4 | H11 | 180.0° | 180.0° |
| N3 | C4 | N4 | C2 | 0.1° | 0.1° |
| N3 | C4 | N4 | C5 | 177.4° | 180.0° |
| C3 | C | N1 | C1 | 0.1° | 0.1° |
| C | C3 | C2 | N4 | 178.8° | 180.0° |
| C | C3 | C2 | N2 | 0.4° | 0.0° |
| C3 | C | N | H9 | 179.6° | 0.0° |
| C3 | C | N | H8 | 60.4° | 180.0° |
| N1 | C | C3 | C2 | 0.4° | 0.1° |
| C | N1 | C1 | N2 | 0.4° | 0.0° |
| C | N1 | C1 | H10 | 179.6° | 180.0° |
| N1 | C | N | H9 | 0.0° | 180.0° |
| N1 | C | N | H8 | 120.0° | 0.0° |
| C3 | C2 | N4 | C4 | 0.2° | 0.0° |
| C3 | C2 | N4 | N2 | 179.2° | 179.9° |
| C3 | C2 | N4 | C5 | 177.3° | 180.0° |
| C3 | C2 | N2 | C1 | 0.0° | 0.0° |
| C4 | N4 | C5 | C27 | 60.0° | 91.9° |
| C4 | N4 | C2 | C5 | 177.5° | 179.9° |
| C4 | N4 | C2 | N2 | 179.4° | 180.0° |
| C4 | N4 | C5 | O | 59.5° | 23.6° |
| C4 | N4 | C5 | H | 179.8° | 145.9° |
| O7 | C27 | C26 | C5 | 117.7° | 118.7° |
| O7 | C27 | C26 | H7 | 124.5° | 122.7° |
| O7 | C27 | C5 | H7 | 124.0° | 122.7° |
| O7 | C27 | C26 | O6 | 24.8° | 0.1° |
| O7 | C27 | C5 | N4 | 115.2° | 98.5° |
| O7 | C27 | C26 | C6 | 97.3° | 118.6° |
| O7 | C27 | C5 | O | 123.7° | 142.6° |
| O7 | C27 | C5 | H | 5.6° | 23.8° |
| O7 | C27 | C26 | H6 | 147.2° | 122.7° |
| C26 | C27 | C5 | H7 | 117.8° | 118.6° |
| C27 | C26 | O6 | C6 | 114.9° | 114.7° |
| C27 | C26 | O6 | H6 | 121.5° | 122.6° |
| C26 | C27 | C5 | N4 | 126.7° | 142.9° |
| C27 | C26 | C6 | H6 | 115.4° | 118.6° |
| C26 | C27 | C5 | O | 5.5° | 24.0° |
| C27 | C26 | C6 | O | 39.6° | 24.0° |
| C27 | C26 | C6 | C7 | 158.7° | 142.8° |
| C26 | C27 | C5 | H | 112.6° | 94.9° |
| C27 | C26 | C6 | H1 | 79.0° | 94.9° |
| C27 | C26 | O6 | H31 | 180.0° | 65.3° |
| C26 | C27 | O7 | H32 | 180.0° | 61.5° |
| C5 | C27 | C26 | O6 | 142.5° | 118.8° |
| C27 | C5 | N4 | C2 | 116.9° | 88.0° |
| C27 | C5 | N4 | O | 119.6° | 115.5° |
| C27 | C5 | N4 | H | 120.1° | 122.2° |
| C5 | C27 | C26 | C6 | 20.4° | 0.0° |
| C27 | C5 | O | H | 117.1° | 118.8° |
| C27 | C5 | O | C6 | 31.3° | 40.5° |
| C5 | C27 | C26 | H6 | 95.1° | 118.6° |
| C5 | C27 | O7 | H32 | 66.6° | 176.1° |
| N1 | C1 | N2 | C2 | 0.4° | 0.0° |
| N1 | C1 | N2 | H10 | 180.0° | 180.0° |
| O6 | C26 | C6 | H6 | 124.3° | 122.6° |
| O6 | C26 | C6 | O | 159.9° | 142.8° |
| O6 | C26 | C6 | C7 | 81.0° | 98.4° |
| O6 | C26 | C6 | H1 | 41.2° | 23.9° |
| O6 | C26 | C27 | H7 | 99.8° | 122.6° |
| N4 | C2 | N2 | C1 | 179.0° | 180.0° |
| C2 | N4 | C5 | O | 123.5° | 156.5° |
| C2 | N4 | C5 | H | 3.2° | 34.2° |
| C2 | N4 | C4 | H11 | 179.9° | 180.0° |
| N2 | C2 | N4 | C5 | 1.9° | 0.1° |
| C2 | N2 | C1 | H10 | 179.6° | 180.0° |
| N4 | C5 | O | H | 120.0° | 122.2° |
| N4 | C5 | O | C6 | 154.2° | 159.5° |
| C5 | N4 | C4 | H11 | 2.6° | 0.0° |
| N4 | C5 | C27 | H7 | 8.9° | 24.3° |
| C26 | C6 | O | C5 | 44.6° | 40.5° |
| C26 | C6 | O | C7 | 118.7° | 118.8° |
| C26 | C6 | O | H1 | 117.9° | 119.0° |
| C26 | C6 | C7 | H1 | 122.2° | 122.4° |
| C26 | C6 | C7 | N5 | 171.9° | 176.7° |
| C26 | C6 | C7 | H13 | 67.6° | 56.7° |
| C26 | C6 | C7 | H12 | 51.4° | 63.3° |
| C6 | C26 | C27 | H7 | 138.2° | 118.6° |
| C6 | C26 | O6 | H31 | 65.0° | 180.0° |
| C5 | O | C6 | C7 | 163.4° | 159.4° |
| C5 | O | C6 | H1 | 73.2° | 78.4° |
| O | C5 | C27 | H7 | 112.2° | 94.6° |
| O | C6 | C7 | H1 | 124.0° | 122.2° |
| O | C6 | C7 | N5 | 58.0° | 67.9° |
| O | C6 | C7 | H13 | 178.5° | 172.0° |
| O | C6 | C7 | H12 | 62.5° | 52.0° |
| C6 | O | C5 | H | 85.8° | 78.3° |
| O | C6 | C26 | H6 | 75.8° | 94.6° |
| C6 | C7 | N5 | H13 | 120.5° | 120.0° |
| C6 | C7 | N5 | H12 | 120.5° | 120.0° |
| C6 | C7 | N5 | C23 | 146.3° | 164.3° |
| C6 | C7 | N5 | C8 | 85.5° | 71.6° |
| C6 | C7 | H13 | H12 | 118.4° | 120.0° |
| C7 | C6 | C26 | H6 | 43.3° | 24.2° |
| C7 | N5 | C23 | C8 | 129.5° | 124.0° |
| C7 | N5 | C23 | C22 | 97.6° | 14.6° |
| C7 | N5 | C8 | C9 | 59.7° | 78.6° |
| N5 | C7 | H13 | H12 | 118.4° | 119.9° |
| C7 | N5 | C8 | H15 | 61.0° | 41.4° |
| C7 | N5 | C8 | H14 | 179.4° | 161.5° |
| N5 | C7 | C6 | H1 | 65.9° | 54.3° |
| C7 | N5 | C23 | H27 | 141.9° | 134.6° |
| C7 | N5 | C23 | H28 | 23.0° | 105.3° |
| N7 | C13 | N8 | C12 | 179.4° | 179.9° |
| N7 | C13 | N8 | C14 | 178.8° | 179.6° |
| N7 | C13 | C12 | N6 | 0.9° | 1.7° |
| N7 | C13 | C12 | C15 | 179.7° | 179.4° |
| C13 | N7 | H17 | H16 | 120.0° | 179.9° |
| O2 | C19 | C20 | C21 | 75.3° | 80.1° |
| O2 | C19 | C20 | N11 | 176.0° | 180.0° |
| O2 | C19 | N11 | C18 | 17.8° | 1.4° |
| O2 | C19 | C20 | H22 | 164.4° | 39.9° |
| O2 | C19 | C20 | H23 | 44.9° | 159.8° |
| O2 | C19 | N11 | H21 | 162.2° | 178.6° |
| N12 | C21 | C20 | H24 | 120.3° | 119.8° |
| N12 | C21 | C20 | H25 | 120.3° | 119.8° |
| C21 | N12 | C22 | H26 | 180.0° | 180.0° |
| N12 | C21 | C20 | C19 | 57.4° | 114.1° |
| C21 | N12 | C22 | C23 | 173.9° | 0.9° |
| C21 | N12 | C22 | O3 | 6.8° | 179.1° |
| N12 | C21 | C20 | H22 | 62.9° | 125.9° |
| N12 | C21 | C20 | H23 | 177.6° | 6.1° |
| N12 | C21 | H24 | H25 | 119.1° | 120.2° |
| C20 | C21 | N12 | C22 | 95.2° | 153.2° |
| C21 | C20 | C19 | H22 | 120.3° | 120.0° |
| C21 | C20 | C19 | H23 | 120.2° | 120.1° |
| C21 | C20 | C19 | N11 | 100.6° | 100.0° |
| C21 | C20 | H22 | H23 | 119.3° | 119.9° |
| C20 | C21 | H24 | H25 | 119.1° | 120.4° |
| C20 | C21 | N12 | H26 | 84.8° | 26.8° |
| N12 | C22 | C23 | N5 | 19.9° | 177.0° |
| N12 | C22 | C23 | O3 | 179.4° | 180.0° |
| C22 | N12 | C21 | H24 | 25.0° | 33.4° |
| C22 | N12 | C21 | H25 | 144.5° | 86.9° |
| N12 | C22 | C23 | H27 | 140.5° | 57.1° |
| N12 | C22 | C23 | H28 | 100.6° | 63.0° |
| N8 | C13 | C12 | N6 | 179.7° | 178.4° |
| N8 | C13 | C12 | C15 | 0.3° | 0.5° |
| C13 | N8 | C14 | N9 | 0.9° | 0.1° |
| C13 | N8 | C14 | H18 | 179.1° | 179.9° |
| N8 | C13 | N7 | H17 | 0.0° | 0.1° |
| N8 | C13 | N7 | H16 | 120.0° | 180.0° |
| C12 | C13 | N8 | C14 | 0.6° | 0.3° |
| C13 | C12 | N6 | C15 | 179.4° | 179.0° |
| C13 | C12 | N6 | C11 | 178.6° | 178.5° |
| C13 | C12 | C15 | N9 | 1.2° | 0.4° |
| C13 | C12 | C15 | N10 | 178.4° | 179.8° |
| C12 | C13 | N7 | H17 | 179.4° | 180.0° |
| C12 | C13 | N7 | H16 | 60.6° | 0.1° |
| N8 | C14 | N9 | H18 | 180.0° | 180.0° |
| N8 | C14 | N9 | C15 | 0.2° | 0.3° |
| C20 | C19 | N11 | C18 | 158.1° | 178.6° |
| C19 | C20 | H22 | H23 | 119.2° | 120.0° |
| C19 | C20 | C21 | H24 | 177.7° | 5.7° |
| C19 | C20 | C21 | H25 | 62.9° | 126.1° |
| C20 | C19 | N11 | H21 | 21.8° | 1.4° |
| C19 | N11 | C18 | H21 | 180.0° | 180.0° |
| C19 | N11 | C18 | C17 | 115.2° | 61.7° |
| C19 | N11 | C18 | H20 | 5.5° | 58.2° |
| C19 | N11 | C18 | H19 | 124.1° | 178.4° |
| N11 | C19 | C20 | H22 | 19.6° | 140.1° |
| N11 | C19 | C20 | H23 | 139.1° | 20.1° |
| N5 | C23 | C22 | H27 | 120.6° | 120.0° |
| N5 | C23 | C22 | H28 | 120.6° | 119.9° |
| N5 | C23 | C22 | O3 | 160.7° | 3.0° |
| C23 | N5 | C8 | C9 | 173.7° | 45.5° |
| C23 | N5 | C7 | H13 | 93.1° | 75.7° |
| C23 | N5 | C7 | H12 | 25.8° | 44.3° |
| C23 | N5 | C8 | H15 | 65.5° | 165.5° |
| C23 | N5 | C8 | H14 | 52.9° | 74.4° |
| N5 | C23 | H27 | H28 | 118.3° | 120.1° |
| C8 | N5 | C23 | C22 | 133.0° | 109.4° |
| N5 | C8 | C9 | C10 | 80.9° | 177.0° |
| N5 | C8 | C9 | H15 | 120.8° | 120.0° |
| N5 | C8 | C9 | H14 | 120.8° | 120.0° |
| C8 | N5 | C7 | H13 | 35.0° | 48.4° |
| C8 | N5 | C7 | H12 | 154.0° | 168.4° |
| N5 | C8 | H15 | H14 | 117.5° | 120.1° |
| C8 | N5 | C23 | H27 | 12.4° | 10.5° |
| C8 | N5 | C23 | H28 | 106.5° | 130.6° |
| C12 | N6 | C11 | C10 | 179.8° | 177.6° |
| C12 | N6 | C11 | N10 | 0.1° | 1.5° |
| N6 | C12 | C15 | N9 | 179.4° | 178.8° |
| N6 | C12 | C15 | N10 | 1.1° | 0.6° |
| C11 | N6 | C12 | C15 | 0.7° | 0.6° |
| N6 | C11 | C10 | N10 | 179.9° | 179.0° |
| N6 | C11 | C10 | C9 | 3.1° | 88.0° |
| N6 | C11 | N10 | C15 | 0.6° | 1.9° |
| N6 | C11 | N10 | C16 | 178.6° | 178.8° |
| C22 | C23 | H27 | H28 | 118.3° | 120.1° |
| C23 | C22 | N12 | H26 | 6.1° | 179.1° |
| O3 | C22 | C23 | H27 | 40.1° | 122.9° |
| O3 | C22 | C23 | H28 | 78.7° | 117.0° |
| O3 | C22 | N12 | H26 | 173.2° | 0.9° |
| C12 | C15 | N10 | C11 | 1.0° | 1.5° |
| C12 | C15 | N9 | C14 | 0.9° | 0.0° |
| C12 | C15 | N9 | N10 | 179.5° | 179.2° |
| C12 | C15 | N10 | C16 | 178.3° | 179.2° |
| N11 | C18 | C17 | H20 | 120.7° | 119.9° |
| N11 | C18 | C17 | H19 | 120.7° | 119.9° |
| N11 | C18 | C17 | O1 | 172.0° | 58.9° |
| N11 | C18 | C17 | C24 | 73.5° | 177.1° |
| N11 | C18 | C17 | H3 | 54.0° | 61.8° |
| N11 | C18 | H20 | H19 | 117.8° | 120.2° |
| C18 | C17 | O1 | C24 | 123.9° | 119.8° |
| C18 | C17 | O1 | H3 | 117.3° | 120.6° |
| C18 | C17 | O1 | C16 | 111.8° | 142.3° |
| C18 | C17 | C24 | H3 | 127.6° | 120.9° |
| C18 | C17 | C24 | C25 | 80.6° | 129.9° |
| C18 | C17 | C24 | O4 | 162.8° | 111.0° |
| C17 | C18 | H20 | H19 | 117.8° | 120.2° |
| C18 | C17 | C24 | H4 | 39.2° | 11.0° |
| C17 | C18 | N11 | H21 | 64.8° | 118.3° |
| C10 | C11 | N10 | C15 | 179.5° | 177.2° |
| C11 | C10 | C9 | C8 | 176.7° | 4.0° |
| C10 | C11 | N10 | C16 | 1.3° | 2.1° |
| N10 | C11 | C10 | C9 | 177.0° | 91.0° |
| C11 | N10 | C15 | N9 | 179.5° | 177.8° |
| C11 | N10 | C15 | C16 | 179.2° | 179.3° |
| C11 | N10 | C16 | O1 | 80.7° | 45.8° |
| C11 | N10 | C16 | C25 | 41.6° | 164.6° |
| C11 | N10 | C16 | H2 | 161.4° | 74.9° |
| C14 | N9 | C15 | N10 | 178.6° | 179.2° |
| C10 | C9 | C8 | H15 | 158.3° | 63.0° |
| C10 | C9 | C8 | H14 | 39.9° | 57.0° |
| N9 | C15 | N10 | C16 | 1.3° | 1.5° |
| C15 | N9 | C14 | H18 | 179.8° | 179.7° |
| C15 | N10 | C16 | O1 | 98.4° | 135.0° |
| C15 | N10 | C16 | C25 | 139.3° | 16.3° |
| C15 | N10 | C16 | H2 | 19.6° | 104.2° |
| C9 | C8 | H15 | H14 | 117.5° | 120.1° |
| C17 | O1 | C16 | N10 | 140.8° | 145.9° |
| O1 | C17 | C24 | H3 | 119.6° | 119.5° |
| C17 | O1 | C16 | C25 | 13.1° | 25.4° |
| O1 | C17 | C24 | C25 | 32.2° | 10.4° |
| O1 | C17 | C24 | O4 | 84.4° | 129.4° |
| C17 | O1 | C16 | H2 | 101.5° | 93.2° |
| O1 | C17 | C18 | H20 | 51.3° | 178.7° |
| O1 | C17 | C18 | H19 | 67.3° | 61.0° |
| O1 | C17 | C24 | H4 | 152.0° | 108.5° |
| O1 | C16 | N10 | C25 | 122.3° | 118.7° |
| O1 | C16 | N10 | H2 | 117.9° | 120.8° |
| C16 | O1 | C17 | C24 | 12.1° | 22.5° |
| O1 | C16 | C25 | H2 | 115.5° | 118.5° |
| O1 | C16 | C25 | C24 | 32.4° | 17.7° |
| O1 | C16 | C25 | O5 | 151.1° | 136.4° |
| C16 | O1 | C17 | H3 | 131.0° | 97.1° |
| O1 | C16 | C25 | H5 | 84.5° | 101.1° |
| N10 | C16 | C25 | H2 | 120.2° | 120.6° |
| N10 | C16 | C25 | C24 | 156.7° | 138.5° |
| N10 | C16 | C25 | O5 | 84.6° | 102.8° |
| N10 | C16 | C25 | H5 | 39.8° | 19.7° |
| C17 | C24 | C25 | C16 | 38.5° | 4.3° |
| C17 | C24 | C25 | O4 | 112.3° | 119.1° |
| C17 | C24 | C25 | H4 | 119.8° | 119.0° |
| C17 | C24 | C25 | O5 | 155.2° | 123.0° |
| C17 | C24 | O4 | H4 | 122.6° | 122.1° |
| C17 | C24 | O4 | H29 | 180.0° | 180.0° |
| C24 | C17 | C18 | H20 | 165.7° | 63.0° |
| C24 | C17 | C18 | H19 | 47.2° | 57.3° |
| C17 | C24 | C25 | H5 | 78.4° | 114.5° |
| C16 | C25 | C24 | O5 | 116.7° | 118.7° |
| C16 | C25 | C24 | H5 | 116.9° | 118.8° |
| C16 | C25 | O5 | H5 | 123.6° | 122.5° |
| C16 | C25 | C24 | O4 | 73.9° | 114.8° |
| C16 | C25 | O5 | H30 | 180.0° | 180.0° |
| C16 | C25 | C24 | H4 | 158.3° | 123.3° |
| C24 | C25 | O5 | H5 | 125.6° | 122.5° |
| C25 | C24 | O4 | H4 | 127.0° | 121.9° |
| C24 | C25 | O5 | H30 | 69.1° | 65.0° |
| C25 | C24 | O4 | H29 | 69.6° | 64.0° |
| C24 | C25 | C16 | H2 | 83.0° | 100.9° |
| C25 | C24 | C17 | H3 | 151.8° | 109.1° |
| O5 | C25 | C24 | O4 | 42.8° | 3.9° |
| O5 | C25 | C16 | H2 | 35.6° | 17.8° |
| O5 | C25 | C24 | H4 | 85.1° | 118.0° |
| O4 | C24 | C17 | H3 | 35.2° | 9.9° |
| O4 | C24 | C25 | H5 | 169.2° | 126.4° |
| H13 | C7 | C6 | H1 | 54.6° | 65.7° |
| H12 | C7 | C6 | H1 | 173.6° | 174.3° |
| H30 | O5 | C25 | H5 | 56.4° | 57.5° |
| H | C5 | C27 | H7 | 129.6° | 146.5° |
| H1 | C6 | C26 | H6 | 165.6° | 146.5° |
| H29 | O4 | C24 | H4 | 57.4° | 57.9° |
| H2 | C16 | C25 | H5 | 160.1° | 140.4° |
| H3 | C17 | C18 | H20 | 66.7° | 58.1° |
| H3 | C17 | C18 | H19 | 174.7° | 178.3° |
| H3 | C17 | C24 | H4 | 88.4° | 132.0° |
| H20 | C18 | N11 | H21 | 174.5° | 121.8° |
| H19 | C18 | N11 | H21 | 55.9° | 1.5° |
| H22 | C20 | C21 | H24 | 57.5° | 114.3° |
| H22 | C20 | C21 | H25 | 176.8° | 6.1° |
| H23 | C20 | C21 | H24 | 62.1° | 125.8° |
| H23 | C20 | C21 | H25 | 57.3° | 113.8° |
| H24 | C21 | N12 | H26 | 154.9° | 146.5° |
| H25 | C21 | N12 | H26 | 35.5° | 93.1° |
| H4 | C24 | C25 | H5 | 41.3° | 4.5° |
| H6 | C26 | C27 | H7 | 22.6° | 0.0° |
| H6 | C26 | O6 | H31 | 58.5° | 57.4° |
| H7 | C27 | O7 | H32 | 56.4° | 61.2° |
