Q9K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C23 | sing | 1.38Å | 1.34Å | |
| N8 | C22 | sing | 1.35Å | 1.38Å | Aromatic |
| N8 | C21 | doub | 1.30Å | 1.32Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| C23 | N10 | sing | 1.33Å | 1.35Å | Aromatic |
| C22 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| N10 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | O5 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.54Å | 1.54Å | |
| C19 | C18 | sing | 1.54Å | 1.54Å | |
| C25 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C25 | N11 | doub | 1.33Å | 1.33Å | Aromatic |
| O6 | C20 | sing | 1.43Å | 1.42Å | |
| N7 | C18 | sing | 1.47Å | 1.46Å | |
| C20 | C17 | sing | 1.54Å | 1.52Å | |
| C24 | N11 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | O4 | sing | 1.44Å | 1.42Å | |
| O4 | C17 | sing | 1.44Å | 1.44Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | N1 | sing | 1.47Å | 1.47Å | |
| N3 | C8 | sing | 1.38Å | 1.34Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C8 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| N4 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| N2 | C6 | doub | 1.31Å | 1.31Å | Aromatic |
| C7 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C9 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C4 | C5 | trip | 1.17Å | 1.19Å | |
| C6 | C5 | sing | 1.43Å | 1.41Å | |
| C6 | N6 | sing | 1.37Å | 1.39Å | Aromatic |
| O1 | C13 | sing | 1.43Å | 1.41Å | |
| O | C12 | sing | 1.44Å | 1.45Å | |
| O | C11 | sing | 1.44Å | 1.41Å | |
| C10 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| N6 | C11 | sing | 1.46Å | 1.44Å | |
| C12 | C14 | sing | 1.54Å | 1.54Å | |
| C11 | C15 | sing | 1.55Å | 1.52Å | |
| C | N | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.55Å | 1.53Å | |
| C15 | O3 | sing | 1.43Å | 1.42Å | |
| C14 | O2 | sing | 1.43Å | 1.41Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| O5 | H4 | sing | 0.97Å | 0.95Å | |
| O6 | H5 | sing | 0.97Å | 0.95Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| N9 | H33 | sing | 0.97Å | 1.00Å | |
| N9 | H34 | sing | 0.97Å | 1.00Å | |
| O1 | H35 | sing | 0.97Å | 0.95Å | |
| O2 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | C23 | C22 | 123.7° | 120.8° |
| N9 | C23 | N10 | 118.6° | 120.8° |
| C23 | N9 | H33 | 109.5° | 120.0° |
| C23 | N9 | H34 | 109.5° | 120.0° |
| C22 | N8 | C21 | 103.5° | 109.5° |
| N8 | C22 | C23 | 132.2° | 134.7° |
| N8 | C22 | C25 | 111.3° | 107.1° |
| N8 | C21 | N7 | 114.0° | 109.9° |
| N8 | C21 | H29 | 123.0° | 125.1° |
| C22 | C23 | N10 | 117.7° | 118.4° |
| C23 | C22 | C25 | 116.4° | 118.2° |
| C23 | N10 | C24 | 118.9° | 121.2° |
| C22 | C25 | N7 | 105.2° | 106.0° |
| C22 | C25 | N11 | 127.3° | 119.0° |
| C21 | N7 | C25 | 106.0° | 107.5° |
| C21 | N7 | C18 | 127.3° | 126.2° |
| N7 | C21 | H29 | 123.0° | 125.0° |
| N10 | C24 | N11 | 128.9° | 122.5° |
| N10 | C24 | H30 | 115.5° | 118.7° |
| O5 | C19 | C20 | 113.0° | 110.5° |
| O5 | C19 | C18 | 109.9° | 110.5° |
| C19 | O5 | H4 | 109.5° | 114.0° |
| O5 | C19 | H25 | 111.2° | 110.5° |
| C20 | C19 | C18 | 103.5° | 104.1° |
| C19 | C20 | O6 | 114.2° | 110.5° |
| C19 | C20 | C17 | 103.0° | 104.1° |
| C20 | C19 | H25 | 109.5° | 110.6° |
| C19 | C20 | H28 | 109.0° | 110.5° |
| C19 | C18 | N7 | 114.3° | 110.5° |
| C19 | C18 | O4 | 107.3° | 104.8° |
| C19 | C18 | H24 | 108.0° | 110.4° |
| C18 | C19 | H25 | 109.4° | 110.6° |
| N7 | C25 | N11 | 127.4° | 135.0° |
| C25 | N7 | C18 | 126.7° | 126.3° |
| C25 | N11 | C24 | 110.8° | 120.7° |
| O6 | C20 | C17 | 110.3° | 110.5° |
| C20 | O6 | H5 | 109.5° | 114.0° |
| O6 | C20 | H28 | 110.7° | 110.4° |
| N7 | C18 | O4 | 108.2° | 110.4° |
| N7 | C18 | H24 | 109.1° | 110.3° |
| C20 | C17 | O4 | 103.6° | 104.8° |
| C20 | C17 | C16 | 116.3° | 110.4° |
| C20 | C17 | H23 | 108.4° | 110.4° |
| C17 | C20 | H28 | 109.3° | 110.6° |
| N11 | C24 | H30 | 115.5° | 118.8° |
| C18 | O4 | C17 | 107.6° | 105.3° |
| O4 | C18 | H24 | 109.8° | 110.3° |
| O4 | C17 | C16 | 110.2° | 110.4° |
| O4 | C17 | H23 | 109.6° | 110.4° |
| C17 | C16 | N1 | 116.6° | 109.4° |
| C17 | C16 | H21 | 107.7° | 109.5° |
| C17 | C16 | H22 | 107.7° | 109.5° |
| C16 | C17 | H23 | 108.5° | 110.3° |
| C16 | N1 | C2 | 113.2° | 111.0° |
| C16 | N1 | C3 | 122.5° | 111.0° |
| N1 | C16 | H21 | 107.7° | 109.5° |
| N1 | C16 | H22 | 107.7° | 109.5° |
| N3 | C8 | N4 | 118.4° | 120.7° |
| N3 | C8 | C7 | 123.7° | 120.8° |
| C8 | N3 | H8 | 109.5° | 120.1° |
| C8 | N3 | H9 | 109.5° | 120.0° |
| C2 | N1 | C3 | 117.1° | 111.0° |
| N1 | C2 | C1 | 112.7° | 109.4° |
| N1 | C2 | H26 | 108.6° | 109.5° |
| N1 | C2 | H27 | 108.7° | 109.5° |
| N1 | C3 | C4 | 116.3° | 109.5° |
| N1 | C3 | H31 | 107.8° | 109.4° |
| N1 | C3 | H32 | 107.8° | 109.5° |
| N4 | C8 | C7 | 117.7° | 118.4° |
| C8 | N4 | C9 | 118.8° | 121.2° |
| C8 | C7 | N2 | 131.8° | 134.4° |
| C8 | C7 | C10 | 117.1° | 118.1° |
| N4 | C9 | N5 | 128.6° | 122.5° |
| N4 | C9 | H3 | 115.7° | 118.7° |
| C7 | N2 | C6 | 103.7° | 109.4° |
| N2 | C7 | C10 | 111.0° | 107.4° |
| N2 | C6 | C5 | 124.0° | 125.2° |
| N2 | C6 | N6 | 114.0° | 109.6° |
| C7 | C10 | N5 | 126.9° | 119.0° |
| C7 | C10 | N6 | 106.4° | 106.2° |
| C2 | C1 | C | 115.0° | 109.4° |
| C2 | C1 | H19 | 108.1° | 109.4° |
| C2 | C1 | H20 | 108.1° | 109.5° |
| C1 | C2 | H26 | 108.7° | 109.5° |
| C1 | C2 | H27 | 108.6° | 109.5° |
| C3 | C4 | C5 | 173.8° | 180.0° |
| C4 | C3 | H31 | 107.7° | 109.5° |
| C4 | C3 | H32 | 107.7° | 109.5° |
| C9 | N5 | C10 | 110.9° | 120.7° |
| N5 | C9 | H3 | 115.7° | 118.7° |
| C1 | C | N | 113.6° | 109.5° |
| C1 | C | H17 | 108.4° | 109.4° |
| C1 | C | H18 | 108.4° | 109.5° |
| C | C1 | H19 | 108.1° | 109.5° |
| C | C1 | H20 | 108.1° | 109.5° |
| C4 | C5 | C6 | 170.7° | 180.0° |
| C5 | C6 | N6 | 121.9° | 125.2° |
| C6 | N6 | C10 | 104.9° | 107.3° |
| C6 | N6 | C11 | 130.0° | 126.3° |
| O1 | C13 | C12 | 110.1° | 109.5° |
| O1 | C13 | H10 | 109.3° | 109.5° |
| O1 | C13 | H11 | 109.3° | 109.5° |
| C13 | O1 | H35 | 109.5° | 114.0° |
| C12 | O | C11 | 105.2° | 107.0° |
| O | C12 | C13 | 109.1° | 110.0° |
| O | C12 | C14 | 106.5° | 107.3° |
| O | C12 | H7 | 109.1° | 109.8° |
| O | C11 | N6 | 111.8° | 110.7° |
| O | C11 | C15 | 104.7° | 103.5° |
| O | C11 | H6 | 108.3° | 110.6° |
| N5 | C10 | N6 | 126.7° | 134.7° |
| C10 | N6 | C11 | 125.0° | 126.3° |
| C13 | C12 | C14 | 115.6° | 109.9° |
| C13 | C12 | H7 | 108.4° | 109.9° |
| C12 | C13 | H10 | 109.3° | 109.5° |
| C12 | C13 | H11 | 109.3° | 109.5° |
| N6 | C11 | C15 | 116.8° | 110.6° |
| N6 | C11 | H6 | 107.9° | 110.6° |
| C12 | C14 | C15 | 103.3° | 104.2° |
| C12 | C14 | O2 | 108.0° | 110.5° |
| C14 | C12 | H7 | 107.9° | 109.9° |
| C12 | C14 | H12 | 111.3° | 110.5° |
| C11 | C15 | C14 | 99.0° | 102.1° |
| C11 | C15 | O3 | 107.0° | 110.9° |
| C15 | C11 | H6 | 107.0° | 110.6° |
| C11 | C15 | H13 | 111.6° | 110.9° |
| C | N | H14 | 109.5° | 111.0° |
| C | N | H15 | 109.5° | 111.0° |
| N | C | H17 | 108.4° | 109.5° |
| N | C | H18 | 108.4° | 109.5° |
| C14 | C15 | O3 | 113.6° | 110.9° |
| C15 | C14 | O2 | 108.8° | 110.5° |
| C15 | C14 | H12 | 111.5° | 110.6° |
| C14 | C15 | H13 | 111.4° | 110.9° |
| C15 | O3 | H1 | 109.5° | 114.0° |
| O3 | C15 | H13 | 113.2° | 110.8° |
| O2 | C14 | H12 | 113.4° | 110.5° |
| C14 | O2 | H36 | 109.5° | 114.1° |
| H8 | N3 | H9 | 109.5° | 120.0° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H14 | N | H15 | 109.4° | 111.0° |
| H17 | C | H18 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H26 | C2 | H27 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H33 | N9 | H34 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | C23 | C22 | N8 | 2.6° | 0.6° |
| N9 | C23 | C22 | N10 | 178.8° | 179.9° |
| N9 | C23 | C22 | C25 | 179.0° | 180.0° |
| N9 | C23 | N10 | C24 | 179.2° | 180.0° |
| C23 | N9 | H33 | H34 | 120.0° | 179.9° |
| N8 | C22 | C23 | C25 | 176.3° | 179.4° |
| N8 | C22 | C23 | N10 | 176.1° | 179.5° |
| C22 | N8 | C21 | N7 | 0.2° | 0.0° |
| N8 | C22 | C25 | N7 | 1.0° | 0.4° |
| N8 | C22 | C25 | N11 | 177.9° | 179.6° |
| C22 | N8 | C21 | H29 | 179.8° | 179.7° |
| C21 | N8 | C22 | C23 | 175.7° | 179.7° |
| C21 | N8 | C22 | C25 | 0.8° | 0.3° |
| N8 | C21 | N7 | H29 | 180.0° | 179.8° |
| N8 | C21 | N7 | C25 | 0.4° | 0.3° |
| N8 | C21 | N7 | C18 | 177.5° | 179.8° |
| C22 | C23 | N10 | C24 | 0.4° | 0.1° |
| C23 | C22 | C25 | N7 | 176.1° | 180.0° |
| C23 | C22 | C25 | N11 | 0.8° | 0.0° |
| C22 | C23 | N9 | H33 | 178.7° | 0.1° |
| C22 | C23 | N9 | H34 | 61.3° | 180.0° |
| N10 | C23 | C22 | C25 | 0.2° | 0.1° |
| C23 | N10 | C24 | N11 | 0.3° | 0.1° |
| C23 | N10 | C24 | H30 | 179.7° | 179.9° |
| N10 | C23 | N9 | H33 | 0.0° | 180.0° |
| N10 | C23 | N9 | H34 | 120.0° | 0.1° |
| C22 | C25 | N7 | C21 | 0.8° | 0.4° |
| C22 | C25 | N7 | N11 | 176.9° | 180.0° |
| C22 | C25 | N7 | C18 | 177.1° | 179.6° |
| C22 | C25 | N11 | C24 | 1.4° | 0.0° |
| C21 | N7 | C18 | C19 | 66.0° | 91.9° |
| C21 | N7 | C25 | C18 | 177.9° | 180.0° |
| C21 | N7 | C25 | N11 | 177.7° | 179.6° |
| C21 | N7 | C18 | O4 | 53.5° | 23.6° |
| C21 | N7 | C18 | H24 | 172.9° | 145.8° |
| N10 | C24 | N11 | C25 | 1.1° | 0.0° |
| N10 | C24 | N11 | H30 | 180.0° | 180.0° |
| O5 | C19 | C20 | C18 | 118.9° | 118.6° |
| O5 | C19 | C20 | H25 | 124.5° | 122.6° |
| O5 | C19 | C18 | H25 | 122.4° | 122.6° |
| O5 | C19 | C20 | O6 | 20.8° | 0.1° |
| O5 | C19 | C18 | N7 | 116.7° | 98.5° |
| O5 | C19 | C20 | C17 | 98.8° | 118.7° |
| O5 | C19 | C18 | O4 | 123.4° | 142.6° |
| O5 | C19 | C18 | H24 | 5.0° | 23.8° |
| O5 | C19 | C20 | H28 | 145.2° | 122.6° |
| C20 | C19 | C18 | H25 | 116.6° | 118.7° |
| C19 | C20 | O6 | C17 | 115.5° | 114.7° |
| C19 | C20 | O6 | H28 | 123.5° | 122.6° |
| C20 | C19 | C18 | N7 | 122.4° | 142.9° |
| C19 | C20 | C17 | H28 | 115.8° | 118.7° |
| C20 | C19 | C18 | O4 | 2.4° | 24.0° |
| C19 | C20 | C17 | O4 | 35.7° | 23.9° |
| C19 | C20 | C17 | C16 | 156.8° | 142.8° |
| C20 | C19 | O5 | H4 | 180.0° | 61.5° |
| C19 | C20 | O6 | H5 | 180.0° | 61.3° |
| C19 | C20 | C17 | H23 | 80.6° | 94.9° |
| C20 | C19 | C18 | H24 | 115.9° | 94.8° |
| C19 | C18 | N7 | C25 | 111.5° | 88.1° |
| C18 | C19 | C20 | O6 | 139.7° | 118.7° |
| C19 | C18 | N7 | O4 | 119.5° | 115.5° |
| C19 | C18 | N7 | H24 | 121.1° | 122.4° |
| C18 | C19 | C20 | C17 | 20.1° | 0.0° |
| C19 | C18 | O4 | H24 | 117.2° | 118.9° |
| C19 | C18 | O4 | C17 | 25.9° | 40.5° |
| C18 | C19 | O5 | H4 | 64.9° | 176.1° |
| C18 | C19 | C20 | H28 | 95.9° | 118.8° |
| N7 | C25 | N11 | C24 | 174.9° | 180.0° |
| C25 | N7 | C18 | O4 | 129.1° | 156.4° |
| C25 | N7 | C18 | H24 | 9.6° | 34.3° |
| C25 | N7 | C21 | H29 | 179.6° | 180.0° |
| N11 | C25 | N7 | C18 | 0.2° | 0.4° |
| C25 | N11 | C24 | H30 | 178.9° | 180.0° |
| O6 | C20 | C17 | H28 | 121.9° | 122.6° |
| O6 | C20 | C17 | O4 | 158.0° | 142.7° |
| O6 | C20 | C17 | C16 | 80.9° | 98.5° |
| O6 | C20 | C17 | H23 | 41.7° | 23.8° |
| O6 | C20 | C19 | H25 | 103.7° | 122.5° |
| N7 | C18 | O4 | H24 | 119.0° | 122.2° |
| N7 | C18 | O4 | C17 | 149.7° | 159.5° |
| N7 | C18 | C19 | H25 | 5.7° | 24.1° |
| C18 | N7 | C21 | H29 | 2.5° | 0.0° |
| C20 | C17 | O4 | C18 | 39.0° | 40.5° |
| C20 | C17 | O4 | C16 | 125.1° | 118.8° |
| C20 | C17 | O4 | H23 | 115.5° | 118.9° |
| C20 | C17 | C16 | H23 | 122.5° | 122.3° |
| C20 | C17 | C16 | N1 | 161.1° | 177.6° |
| C17 | C20 | O6 | H5 | 64.5° | 176.1° |
| C20 | C17 | C16 | H21 | 40.1° | 57.6° |
| C20 | C17 | C16 | H22 | 77.9° | 62.4° |
| C17 | C20 | C19 | H25 | 136.7° | 118.8° |
| C18 | O4 | C17 | C16 | 164.1° | 159.3° |
| C18 | O4 | C17 | H23 | 76.6° | 78.4° |
| O4 | C18 | C19 | H25 | 114.2° | 94.8° |
| O4 | C17 | C16 | H23 | 120.0° | 122.3° |
| O4 | C17 | C16 | N1 | 81.4° | 62.2° |
| O4 | C17 | C16 | H21 | 157.6° | 57.8° |
| O4 | C17 | C16 | H22 | 39.7° | 177.8° |
| C17 | O4 | C18 | H24 | 91.3° | 78.4° |
| O4 | C17 | C20 | H28 | 80.1° | 94.7° |
| C17 | C16 | N1 | H21 | 121.0° | 120.0° |
| C17 | C16 | N1 | H22 | 121.0° | 120.0° |
| C17 | C16 | N1 | C2 | 87.4° | 75.8° |
| C17 | C16 | N1 | C3 | 62.0° | 160.3° |
| C17 | C16 | H21 | H22 | 116.8° | 120.0° |
| C16 | C17 | C20 | H28 | 41.0° | 24.1° |
| C16 | N1 | C2 | C3 | 151.2° | 123.9° |
| C16 | N1 | C2 | C1 | 99.6° | 66.7° |
| C16 | N1 | C3 | C4 | 72.1° | 170.0° |
| N1 | C16 | H21 | H22 | 116.8° | 120.0° |
| N1 | C16 | C17 | H23 | 38.6° | 60.1° |
| C16 | N1 | C2 | H26 | 20.9° | 173.3° |
| C16 | N1 | C2 | H27 | 139.9° | 53.3° |
| C16 | N1 | C3 | H31 | 48.9° | 50.0° |
| C16 | N1 | C3 | H32 | 166.9° | 70.0° |
| N3 | C8 | N4 | C7 | 175.1° | 179.9° |
| N3 | C8 | N4 | C9 | 174.1° | 180.0° |
| N3 | C8 | C7 | N2 | 3.9° | 0.0° |
| N3 | C8 | C7 | C10 | 172.6° | 179.9° |
| C8 | N3 | H8 | H9 | 120.0° | 179.9° |
| N1 | C2 | C1 | H26 | 120.5° | 120.0° |
| N1 | C2 | C1 | H27 | 120.5° | 120.0° |
| C2 | N1 | C3 | C4 | 76.2° | 66.1° |
| N1 | C2 | C1 | C | 104.4° | 177.3° |
| N1 | C2 | C1 | H19 | 16.4° | 62.8° |
| N1 | C2 | C1 | H20 | 134.8° | 57.3° |
| C2 | N1 | C16 | H21 | 151.5° | 164.2° |
| C2 | N1 | C16 | H22 | 33.6° | 44.2° |
| N1 | C2 | H26 | H27 | 118.5° | 120.0° |
| C2 | N1 | C3 | H31 | 162.8° | 174.0° |
| C2 | N1 | C3 | H32 | 44.8° | 54.0° |
| C3 | N1 | C2 | C1 | 109.2° | 57.3° |
| N1 | C3 | C4 | H31 | 121.0° | 119.9° |
| N1 | C3 | C4 | H32 | 121.0° | 120.0° |
| N1 | C3 | C4 | C5 | 130.8° | 120.9° |
| C3 | N1 | C16 | H21 | 59.0° | 40.3° |
| C3 | N1 | C16 | H22 | 177.0° | 79.7° |
| C3 | N1 | C2 | H26 | 130.3° | 62.7° |
| C3 | N1 | C2 | H27 | 11.3° | 177.2° |
| N1 | C3 | H31 | H32 | 116.9° | 120.0° |
| N4 | C8 | C7 | N2 | 178.7° | 179.9° |
| N4 | C8 | C7 | C10 | 2.1° | 0.1° |
| C8 | N4 | C9 | N5 | 0.4° | 0.1° |
| C8 | N4 | C9 | H3 | 179.6° | 179.9° |
| N4 | C8 | N3 | H8 | 0.0° | 0.1° |
| N4 | C8 | N3 | H9 | 120.0° | 180.0° |
| C7 | C8 | N4 | C9 | 0.9° | 0.1° |
| C8 | C7 | N2 | C10 | 176.7° | 180.0° |
| C8 | C7 | N2 | C6 | 174.7° | 179.9° |
| C8 | C7 | C10 | N5 | 2.4° | 0.0° |
| C8 | C7 | C10 | N6 | 175.8° | 180.0° |
| C7 | C8 | N3 | H8 | 174.7° | 180.0° |
| C7 | C8 | N3 | H9 | 54.7° | 0.1° |
| N4 | C9 | N5 | H3 | 180.0° | 180.0° |
| N4 | C9 | N5 | C10 | 0.3° | 0.0° |
| C7 | N2 | C6 | C5 | 173.7° | 180.0° |
| C7 | N2 | C6 | N6 | 1.9° | 0.2° |
| N2 | C7 | C10 | N5 | 179.6° | 180.0° |
| N2 | C7 | C10 | N6 | 1.4° | 0.0° |
| C6 | N2 | C7 | C10 | 2.0° | 0.1° |
| N2 | C6 | C5 | C4 | 4.2° | 146.6° |
| N2 | C6 | C5 | N6 | 175.3° | 179.7° |
| N2 | C6 | N6 | C10 | 1.1° | 0.2° |
| N2 | C6 | N6 | C11 | 178.6° | 179.8° |
| C7 | C10 | N5 | C9 | 1.1° | 0.1° |
| C7 | C10 | N6 | C6 | 0.2° | 0.2° |
| C7 | C10 | N5 | N6 | 177.8° | 179.9° |
| C7 | C10 | N6 | C11 | 177.4° | 179.8° |
| C2 | C1 | C | H19 | 120.8° | 119.9° |
| C2 | C1 | C | H20 | 120.8° | 120.0° |
| C2 | C1 | C | N | 76.1° | 180.0° |
| C2 | C1 | C | H17 | 44.5° | 60.0° |
| C2 | C1 | C | H18 | 163.3° | 60.0° |
| C2 | C1 | H19 | H20 | 117.5° | 120.0° |
| C1 | C2 | H26 | H27 | 118.5° | 120.0° |
| C3 | C4 | C5 | C6 | 10.1° | 92.3° |
| C4 | C3 | H31 | H32 | 116.9° | 120.0° |
| C9 | N5 | C10 | N6 | 176.7° | 180.0° |
| C1 | C | N | H17 | 120.6° | 120.0° |
| C1 | C | N | H18 | 120.6° | 120.0° |
| C1 | C | N | H14 | 180.0° | 180.0° |
| C1 | C | N | H15 | 60.0° | 56.0° |
| C1 | C | H17 | H18 | 118.1° | 120.0° |
| C | C1 | H19 | H20 | 117.5° | 120.1° |
| C | C1 | C2 | H26 | 135.1° | 62.7° |
| C | C1 | C2 | H27 | 16.1° | 57.3° |
| C4 | C5 | C6 | N6 | 179.5° | 33.2° |
| C5 | C4 | C3 | H31 | 9.7° | 1.0° |
| C5 | C4 | C3 | H32 | 108.2° | 119.1° |
| C5 | C6 | N6 | C10 | 174.7° | 180.0° |
| C5 | C6 | N6 | C11 | 2.8° | 0.0° |
| C6 | N6 | C11 | O | 67.0° | 39.2° |
| C6 | N6 | C10 | N5 | 178.4° | 179.9° |
| C6 | N6 | C10 | C11 | 177.6° | 180.0° |
| C6 | N6 | C11 | C15 | 53.5° | 75.0° |
| C6 | N6 | C11 | H6 | 174.0° | 162.1° |
| O1 | C13 | C12 | O | 47.6° | 67.1° |
| O1 | C13 | C12 | H10 | 120.1° | 120.0° |
| O1 | C13 | C12 | H11 | 120.1° | 120.0° |
| O1 | C13 | C12 | C14 | 72.4° | 175.0° |
| O1 | C13 | C12 | H7 | 166.4° | 54.0° |
| O1 | C13 | H10 | H11 | 119.7° | 120.0° |
| O | C12 | C13 | C14 | 120.0° | 118.0° |
| O | C12 | C13 | H7 | 118.7° | 121.0° |
| C12 | O | C11 | N6 | 169.7° | 158.6° |
| O | C12 | C14 | H7 | 117.1° | 119.4° |
| C12 | O | C11 | C15 | 42.4° | 40.0° |
| O | C12 | C14 | C15 | 8.3° | 2.0° |
| O | C12 | C14 | O2 | 106.9° | 120.7° |
| C12 | O | C11 | H6 | 71.5° | 78.5° |
| O | C12 | C13 | H10 | 167.7° | 172.9° |
| O | C12 | C13 | H11 | 72.4° | 53.0° |
| O | C12 | C14 | H12 | 128.1° | 116.8° |
| O | C11 | N6 | C10 | 110.0° | 140.8° |
| C11 | O | C12 | C13 | 146.1° | 146.0° |
| O | C11 | N6 | C15 | 120.5° | 114.2° |
| O | C11 | N6 | H6 | 119.0° | 122.9° |
| C11 | O | C12 | C14 | 20.6° | 26.4° |
| O | C11 | C15 | H6 | 114.8° | 118.5° |
| O | C11 | C15 | C14 | 46.0° | 37.0° |
| O | C11 | C15 | O3 | 164.2° | 155.2° |
| C11 | O | C12 | H7 | 95.6° | 93.0° |
| O | C11 | C15 | H13 | 71.5° | 81.2° |
| N5 | C10 | N6 | C11 | 0.8° | 0.1° |
| C10 | N5 | C9 | H3 | 179.6° | 180.0° |
| C10 | N6 | C11 | C15 | 129.5° | 105.0° |
| C10 | N6 | C11 | H6 | 9.0° | 17.9° |
| C13 | C12 | C14 | H7 | 121.5° | 121.0° |
| C13 | C12 | C14 | C15 | 113.1° | 121.6° |
| C13 | C12 | C14 | O2 | 131.7° | 119.7° |
| C12 | C13 | H10 | H11 | 119.8° | 120.0° |
| C13 | C12 | C14 | H12 | 6.7° | 2.8° |
| C12 | C13 | O1 | H35 | 180.0° | 180.0° |
| N6 | C11 | C15 | H6 | 121.0° | 122.9° |
| N6 | C11 | C15 | C14 | 170.2° | 155.7° |
| N6 | C11 | C15 | O3 | 71.7° | 86.1° |
| N6 | C11 | C15 | H13 | 52.7° | 37.5° |
| C12 | C14 | C15 | C11 | 31.3° | 20.9° |
| C12 | C14 | C15 | O2 | 114.6° | 118.7° |
| C12 | C14 | C15 | H12 | 119.6° | 118.7° |
| C12 | C14 | C15 | O3 | 144.4° | 139.1° |
| C12 | C14 | O2 | H12 | 123.8° | 122.5° |
| C14 | C12 | C13 | H10 | 47.7° | 54.9° |
| C14 | C12 | C13 | H11 | 167.6° | 65.0° |
| C12 | C14 | C15 | H13 | 86.3° | 97.3° |
| C12 | C14 | O2 | H36 | 180.0° | 61.4° |
| C11 | C15 | C14 | O3 | 113.1° | 118.2° |
| C11 | C15 | C14 | H13 | 117.6° | 118.2° |
| C11 | C15 | O3 | H13 | 123.4° | 123.6° |
| C11 | C15 | C14 | O2 | 83.3° | 97.8° |
| C11 | C15 | O3 | H1 | 180.0° | 180.0° |
| C11 | C15 | C14 | H12 | 150.9° | 139.6° |
| C | N | H14 | H15 | 120.0° | 124.0° |
| N | C | H17 | H18 | 118.1° | 120.0° |
| N | C | C1 | H19 | 163.1° | 60.1° |
| N | C | C1 | H20 | 44.7° | 60.0° |
| C14 | C15 | O3 | H13 | 128.4° | 123.7° |
| C15 | C14 | O2 | H12 | 124.7° | 122.7° |
| C14 | C15 | O3 | H1 | 71.8° | 67.3° |
| C14 | C15 | C11 | H6 | 68.8° | 81.5° |
| C15 | C14 | C12 | H7 | 125.4° | 117.4° |
| C15 | C14 | O2 | H36 | 68.4° | 176.2° |
| O3 | C15 | C14 | O2 | 29.8° | 20.4° |
| O3 | C15 | C11 | H6 | 49.4° | 36.8° |
| O3 | C15 | C14 | H12 | 96.0° | 102.2° |
| O2 | C14 | C12 | H7 | 10.2° | 1.3° |
| O2 | C14 | C15 | H13 | 159.1° | 144.0° |
| H1 | O3 | C15 | H13 | 56.6° | 56.4° |
| H4 | O5 | C19 | H25 | 56.5° | 61.1° |
| H5 | O6 | C20 | H28 | 56.5° | 61.2° |
| H6 | C11 | C15 | H13 | 173.7° | 160.3° |
| H7 | C12 | C13 | H10 | 73.6° | 66.1° |
| H7 | C12 | C13 | H11 | 46.3° | 174.0° |
| H7 | C12 | C14 | H12 | 114.9° | 123.9° |
| H10 | C13 | O1 | H35 | 59.9° | 60.0° |
| H11 | C13 | O1 | H35 | 59.9° | 59.9° |
| H12 | C14 | C15 | H13 | 33.4° | 21.4° |
| H12 | C14 | O2 | H36 | 56.2° | 61.1° |
| H14 | N | C | H17 | 59.4° | 60.0° |
| H14 | N | C | H18 | 59.4° | 60.0° |
| H15 | N | C | H17 | 179.4° | 63.9° |
| H15 | N | C | H18 | 60.6° | 176.0° |
| H17 | C | C1 | H19 | 76.3° | 179.9° |
| H17 | C | C1 | H20 | 165.3° | 60.0° |
| H18 | C | C1 | H19 | 42.5° | 59.9° |
| H18 | C | C1 | H20 | 75.9° | 180.0° |
| H19 | C1 | C2 | H26 | 104.0° | 57.2° |
| H19 | C1 | C2 | H27 | 136.9° | 177.3° |
| H20 | C1 | C2 | H26 | 14.3° | 177.3° |
| H20 | C1 | C2 | H27 | 104.7° | 62.7° |
| H21 | C16 | C17 | H23 | 82.4° | 179.9° |
| H22 | C16 | C17 | H23 | 159.6° | 59.9° |
| H23 | C17 | C20 | H28 | 163.5° | 146.4° |
| H24 | C18 | C19 | H25 | 127.4° | 146.4° |
| H25 | C19 | C20 | H28 | 20.7° | 0.0° |
