6D3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C12 | sing | 1.38Å | 1.39Å | |
| C12 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| N4 | C11 | sing | 1.35Å | 1.36Å | Aromatic |
| N4 | C10 | doub | 1.30Å | 1.34Å | Aromatic |
| N11 | C21 | sing | 1.47Å | 1.43Å | |
| C11 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| N7 | C14 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C14 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | N6 | doub | 1.33Å | 1.36Å | Aromatic |
| O6 | C22 | doub | 1.21Å | 1.27Å | |
| N3 | C7 | sing | 1.46Å | 1.42Å | |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| C22 | O7 | sing | 1.34Å | 1.30Å | |
| C18 | C19 | doub | 1.35Å | 1.45Å | Aromatic |
| C18 | N8 | sing | 1.35Å | 1.36Å | Aromatic |
| C19 | N9 | sing | 1.34Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.55Å | 1.48Å | |
| C7 | O2 | sing | 1.44Å | 1.43Å | |
| C8 | O3 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.55Å | 1.50Å | |
| N8 | C17 | sing | 1.47Å | 1.49Å | |
| N8 | N10 | sing | 1.29Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| O2 | C6 | sing | 1.44Å | 1.45Å | |
| N9 | N10 | doub | 1.29Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C9 | C6 | sing | 1.54Å | 1.49Å | |
| C9 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.47Å | 1.42Å | |
| C15 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C4 | sing | 1.47Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.47Å | 1.40Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O5 | sing | 1.34Å | 1.26Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| O5 | H22 | sing | 0.97Å | 0.95Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| N11 | H33 | sing | 1.01Å | 1.00Å | |
| N11 | H34 | sing | 1.01Å | 1.00Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C12 | C11 | 120.3° | 120.7° |
| N5 | C12 | N7 | 121.1° | 120.8° |
| C12 | N5 | H19 | 109.5° | 120.0° |
| C12 | N5 | H20 | 109.5° | 119.9° |
| C11 | C12 | N7 | 118.6° | 118.5° |
| C12 | C11 | N4 | 134.5° | 134.7° |
| C12 | C11 | C13 | 118.1° | 118.2° |
| C12 | N7 | C14 | 121.6° | 121.1° |
| C11 | N4 | C10 | 107.6° | 109.4° |
| N4 | C11 | C13 | 107.5° | 107.1° |
| N4 | C10 | N3 | 110.3° | 110.0° |
| N4 | C10 | H18 | 124.8° | 125.0° |
| N11 | C21 | C20 | 112.1° | 109.5° |
| N11 | C21 | C22 | 111.7° | 109.5° |
| N11 | C21 | H32 | 109.0° | 109.5° |
| C21 | N11 | H33 | 109.5° | 111.0° |
| C21 | N11 | H34 | 109.4° | 111.0° |
| C11 | C13 | N3 | 106.2° | 106.0° |
| C11 | C13 | N6 | 118.8° | 119.1° |
| N7 | C14 | N6 | 121.8° | 122.5° |
| N7 | C14 | H21 | 119.1° | 118.8° |
| C10 | N3 | C13 | 108.4° | 107.4° |
| C10 | N3 | C7 | 127.3° | 126.3° |
| N3 | C10 | H18 | 124.9° | 125.0° |
| C20 | C21 | C22 | 108.4° | 109.5° |
| C21 | C20 | C19 | 117.0° | 109.5° |
| C21 | C20 | H30 | 107.6° | 109.5° |
| C21 | C20 | H31 | 107.6° | 109.5° |
| C20 | C21 | H32 | 107.9° | 109.5° |
| C21 | C22 | O6 | 119.3° | 120.0° |
| C21 | C22 | O7 | 117.2° | 120.0° |
| C22 | C21 | H32 | 107.6° | 109.5° |
| C14 | N6 | C13 | 121.2° | 120.6° |
| N6 | C14 | H21 | 119.1° | 118.7° |
| N3 | C13 | N6 | 135.1° | 134.9° |
| C13 | N3 | C7 | 124.2° | 126.3° |
| O6 | C22 | O7 | 123.5° | 120.0° |
| N3 | C7 | C8 | 114.8° | 110.6° |
| N3 | C7 | O2 | 107.3° | 110.6° |
| N3 | C7 | H13 | 110.2° | 110.7° |
| C20 | C19 | C18 | 127.0° | 126.7° |
| C20 | C19 | N9 | 127.9° | 126.8° |
| C19 | C20 | H30 | 107.5° | 109.4° |
| C19 | C20 | H31 | 107.5° | 109.5° |
| C22 | O7 | H36 | 109.5° | 117.0° |
| C19 | C18 | N8 | 107.2° | 106.2° |
| C18 | C19 | N9 | 105.2° | 106.5° |
| C19 | C18 | H29 | 126.4° | 126.9° |
| C18 | N8 | C17 | 125.3° | 125.9° |
| C18 | N8 | N10 | 106.8° | 108.3° |
| N8 | C18 | H29 | 126.3° | 126.9° |
| C19 | N9 | N10 | 108.2° | 108.8° |
| C8 | C7 | O2 | 105.1° | 103.5° |
| C7 | C8 | O3 | 110.3° | 110.9° |
| C7 | C8 | C9 | 103.1° | 102.1° |
| C8 | C7 | H13 | 109.3° | 110.6° |
| C7 | C8 | H14 | 110.4° | 110.9° |
| C7 | O2 | C6 | 107.4° | 107.0° |
| O2 | C7 | H13 | 110.0° | 110.7° |
| O3 | C8 | C9 | 111.3° | 110.8° |
| O3 | C8 | H14 | 111.3° | 110.8° |
| C8 | O3 | H15 | 109.5° | 114.0° |
| C8 | C9 | C6 | 106.7° | 104.0° |
| C8 | C9 | O4 | 108.9° | 110.5° |
| C9 | C8 | H14 | 110.2° | 111.0° |
| C8 | C9 | H16 | 110.3° | 110.5° |
| C17 | N8 | N10 | 127.8° | 125.9° |
| N8 | C17 | C16 | 112.2° | 109.4° |
| N8 | C17 | H27 | 108.8° | 109.4° |
| N8 | C17 | H28 | 108.8° | 109.5° |
| N8 | N10 | N9 | 112.6° | 110.2° |
| C17 | C16 | C15 | 113.5° | 109.5° |
| C17 | C16 | H25 | 108.4° | 109.5° |
| C17 | C16 | H26 | 108.4° | 109.5° |
| C16 | C17 | H27 | 108.8° | 109.5° |
| C16 | C17 | H28 | 108.8° | 109.4° |
| O2 | C6 | C9 | 105.7° | 107.4° |
| O2 | C6 | C5 | 107.5° | 109.9° |
| O2 | C6 | H12 | 110.2° | 109.9° |
| C16 | C15 | N2 | 111.3° | 109.5° |
| C16 | C15 | H23 | 109.0° | 109.5° |
| C16 | C15 | H24 | 109.0° | 109.4° |
| C15 | C16 | H25 | 108.5° | 109.5° |
| C15 | C16 | H26 | 108.5° | 109.4° |
| C6 | C9 | O4 | 109.0° | 110.6° |
| C9 | C6 | C5 | 114.5° | 109.9° |
| C9 | C6 | H12 | 109.7° | 109.9° |
| C6 | C9 | H16 | 110.4° | 110.4° |
| O4 | C9 | H16 | 111.4° | 110.6° |
| C9 | O4 | H17 | 109.5° | 114.0° |
| C6 | C5 | N2 | 115.4° | 109.5° |
| C6 | C5 | H10 | 108.0° | 109.5° |
| C6 | C5 | H11 | 108.0° | 109.4° |
| C5 | C6 | H12 | 109.2° | 109.9° |
| C5 | N2 | C15 | 109.0° | 111.0° |
| C5 | N2 | C4 | 113.4° | 111.0° |
| N2 | C5 | H10 | 108.0° | 109.5° |
| N2 | C5 | H11 | 108.0° | 109.4° |
| C15 | N2 | C4 | 109.5° | 111.0° |
| N2 | C15 | H23 | 109.0° | 109.5° |
| N2 | C15 | H24 | 109.0° | 109.5° |
| N2 | C4 | C3 | 114.2° | 109.5° |
| N2 | C4 | H7 | 108.3° | 109.5° |
| N2 | C4 | H8 | 108.3° | 109.5° |
| C4 | C3 | C2 | 112.3° | 109.5° |
| C4 | C3 | H5 | 108.7° | 109.5° |
| C4 | C3 | H6 | 108.8° | 109.4° |
| C3 | C4 | H7 | 108.3° | 109.5° |
| C3 | C4 | H8 | 108.3° | 109.5° |
| C3 | C2 | N1 | 108.9° | 109.5° |
| C3 | C2 | C1 | 109.7° | 109.5° |
| C3 | C2 | H1 | 109.2° | 109.5° |
| C2 | C3 | H5 | 108.8° | 109.5° |
| C2 | C3 | H6 | 108.8° | 109.5° |
| N1 | C2 | C1 | 108.4° | 109.5° |
| N1 | C2 | H1 | 111.1° | 109.5° |
| C2 | N1 | H2 | 109.5° | 111.0° |
| C2 | N1 | H3 | 109.5° | 111.0° |
| C2 | C1 | O1 | 117.9° | 120.0° |
| C2 | C1 | O5 | 118.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| O1 | C1 | O5 | 123.4° | 120.0° |
| C1 | O5 | H22 | 109.5° | 117.0° |
| H2 | N1 | H3 | 109.5° | 111.0° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.4° |
| H10 | C5 | H11 | 109.4° | 109.5° |
| H19 | N5 | H20 | 109.5° | 120.0° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H33 | N11 | H34 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C12 | C11 | N7 | 179.8° | 180.0° |
| N5 | C12 | C11 | N4 | 0.2° | 0.1° |
| N5 | C12 | C11 | C13 | 179.8° | 179.7° |
| N5 | C12 | N7 | C14 | 179.9° | 179.9° |
| C12 | N5 | H19 | H20 | 120.0° | 180.0° |
| C12 | C11 | N4 | C13 | 179.6° | 179.7° |
| C12 | C11 | N4 | C10 | 179.6° | 179.9° |
| C11 | C12 | N7 | C14 | 0.1° | 0.1° |
| C12 | C11 | C13 | N3 | 179.8° | 179.9° |
| C12 | C11 | C13 | N6 | 0.0° | 0.3° |
| C11 | C12 | N5 | H19 | 179.8° | 0.0° |
| C11 | C12 | N5 | H20 | 59.8° | 180.0° |
| N7 | C12 | C11 | N4 | 179.6° | 179.9° |
| N7 | C12 | C11 | C13 | 0.1° | 0.3° |
| C12 | N7 | C14 | N6 | 0.3° | 0.2° |
| N7 | C12 | N5 | H19 | 0.0° | 180.0° |
| N7 | C12 | N5 | H20 | 120.0° | 0.0° |
| C12 | N7 | C14 | H21 | 179.7° | 180.0° |
| C11 | N4 | C10 | N3 | 0.6° | 0.0° |
| N4 | C11 | C13 | N3 | 0.5° | 0.4° |
| N4 | C11 | C13 | N6 | 179.7° | 180.0° |
| C11 | N4 | C10 | H18 | 179.4° | 180.0° |
| C10 | N4 | C11 | C13 | 0.0° | 0.2° |
| N4 | C10 | N3 | H18 | 180.0° | 180.0° |
| N4 | C10 | N3 | C13 | 0.9° | 0.3° |
| N4 | C10 | N3 | C7 | 179.0° | 180.0° |
| N11 | C21 | C20 | C22 | 123.7° | 120.0° |
| N11 | C21 | C20 | H32 | 120.0° | 120.0° |
| N11 | C21 | C22 | H32 | 119.5° | 120.0° |
| N11 | C21 | C22 | O6 | 11.6° | 20.0° |
| N11 | C21 | C20 | C19 | 85.6° | 65.0° |
| N11 | C21 | C22 | O7 | 168.8° | 160.0° |
| N11 | C21 | C20 | H30 | 153.3° | 175.0° |
| N11 | C21 | C20 | H31 | 35.5° | 55.0° |
| C21 | N11 | H33 | H34 | 120.0° | 123.9° |
| C11 | C13 | N3 | C10 | 0.8° | 0.4° |
| C11 | C13 | N6 | C14 | 0.2° | 0.1° |
| C11 | C13 | N3 | N6 | 179.8° | 179.5° |
| C11 | C13 | N3 | C7 | 179.0° | 179.9° |
| N7 | C14 | N6 | H21 | 180.0° | 179.8° |
| N7 | C14 | N6 | C13 | 0.3° | 0.2° |
| C10 | N3 | C13 | C7 | 178.2° | 179.7° |
| C10 | N3 | C13 | N6 | 179.4° | 179.9° |
| C10 | N3 | C7 | C8 | 47.1° | 95.0° |
| C10 | N3 | C7 | O2 | 69.3° | 19.0° |
| C10 | N3 | C7 | H13 | 171.0° | 142.1° |
| C20 | C21 | C22 | H32 | 116.5° | 120.0° |
| C20 | C21 | C22 | O6 | 135.6° | 100.0° |
| C21 | C20 | C19 | H30 | 121.1° | 120.0° |
| C21 | C20 | C19 | H31 | 121.1° | 120.0° |
| C20 | C21 | C22 | O7 | 44.8° | 80.1° |
| C21 | C20 | C19 | C18 | 97.6° | 125.0° |
| C21 | C20 | C19 | N9 | 84.2° | 55.0° |
| C21 | C20 | H30 | H31 | 116.6° | 120.0° |
| C20 | C21 | N11 | H33 | 180.0° | 176.1° |
| C20 | C21 | N11 | H34 | 60.0° | 60.0° |
| C21 | C22 | O6 | O7 | 179.5° | 180.0° |
| C22 | C21 | C20 | C19 | 38.1° | 175.0° |
| C22 | C21 | C20 | H30 | 82.9° | 55.0° |
| C22 | C21 | C20 | H31 | 159.2° | 65.0° |
| C22 | C21 | N11 | H33 | 58.1° | 63.9° |
| C22 | C21 | N11 | H34 | 61.9° | 60.0° |
| C21 | C22 | O7 | H36 | 179.6° | 180.0° |
| C14 | N6 | C13 | N3 | 179.6° | 179.5° |
| C13 | N3 | C7 | C8 | 135.0° | 84.7° |
| C13 | N3 | C7 | O2 | 108.6° | 161.3° |
| C13 | N3 | C7 | H13 | 11.1° | 38.2° |
| C13 | N3 | C10 | H18 | 179.1° | 179.8° |
| N6 | C13 | N3 | C7 | 1.1° | 0.4° |
| C13 | N6 | C14 | H21 | 179.6° | 180.0° |
| O6 | C22 | C21 | H32 | 107.9° | 140.1° |
| O6 | C22 | O7 | H36 | 0.0° | 0.0° |
| N3 | C7 | C8 | O2 | 117.6° | 118.4° |
| N3 | C7 | C8 | H13 | 124.4° | 123.0° |
| N3 | C7 | O2 | H13 | 119.9° | 123.0° |
| N3 | C7 | C8 | O3 | 89.6° | 86.3° |
| N3 | C7 | C8 | C9 | 151.5° | 155.5° |
| N3 | C7 | O2 | C6 | 156.0° | 158.5° |
| N3 | C7 | C8 | H14 | 33.9° | 37.3° |
| C7 | N3 | C10 | H18 | 1.0° | 0.0° |
| C20 | C19 | C18 | N9 | 178.5° | 180.0° |
| C20 | C19 | C18 | N8 | 179.1° | 180.0° |
| C20 | C19 | N9 | N10 | 179.2° | 179.7° |
| C20 | C19 | C18 | H29 | 0.9° | 0.0° |
| C19 | C20 | H30 | H31 | 116.5° | 120.0° |
| C19 | C20 | C21 | H32 | 154.4° | 55.0° |
| O7 | C22 | C21 | H32 | 71.6° | 39.9° |
| C19 | C18 | N8 | H29 | 180.0° | 180.0° |
| C19 | C18 | N8 | C17 | 179.7° | 180.0° |
| C19 | C18 | N8 | N10 | 0.2° | 0.3° |
| C18 | C19 | N9 | N10 | 0.7° | 0.3° |
| C18 | C19 | C20 | H30 | 141.3° | 115.0° |
| C18 | C19 | C20 | H31 | 23.5° | 5.0° |
| N8 | C18 | C19 | N9 | 0.6° | 0.0° |
| C18 | N8 | C17 | N10 | 179.9° | 179.7° |
| C18 | N8 | C17 | C16 | 142.0° | 125.3° |
| C18 | N8 | N10 | N9 | 0.3° | 0.4° |
| C18 | N8 | C17 | H27 | 97.6° | 5.3° |
| C18 | N8 | C17 | H28 | 21.6° | 114.7° |
| C19 | N9 | N10 | N8 | 0.6° | 0.4° |
| N9 | C19 | C18 | H29 | 179.4° | 180.0° |
| N9 | C19 | C20 | H30 | 36.9° | 65.0° |
| N9 | C19 | C20 | H31 | 154.7° | 175.0° |
| C8 | C7 | O2 | H13 | 117.6° | 118.5° |
| C7 | C8 | O3 | C9 | 113.8° | 112.7° |
| C7 | C8 | O3 | H14 | 122.9° | 123.7° |
| C7 | C8 | C9 | H14 | 117.8° | 118.2° |
| C8 | C7 | O2 | C6 | 33.4° | 40.1° |
| C7 | C8 | C9 | C6 | 22.2° | 21.0° |
| C7 | C8 | C9 | O4 | 95.4° | 97.8° |
| C7 | C8 | O3 | H15 | 180.0° | 180.0° |
| C7 | C8 | C9 | H16 | 142.1° | 139.5° |
| O2 | C7 | C8 | O3 | 152.8° | 155.2° |
| O2 | C7 | C8 | C9 | 33.9° | 37.1° |
| C7 | O2 | C6 | C9 | 18.8° | 26.4° |
| C7 | O2 | C6 | C5 | 141.6° | 145.9° |
| C7 | O2 | C6 | H12 | 99.5° | 93.1° |
| O2 | C7 | C8 | H14 | 83.7° | 81.2° |
| O3 | C8 | C9 | H14 | 124.0° | 123.6° |
| O3 | C8 | C9 | C6 | 140.5° | 139.2° |
| O3 | C8 | C9 | O4 | 22.9° | 20.4° |
| O3 | C8 | C7 | H13 | 34.8° | 36.6° |
| O3 | C8 | C9 | H16 | 99.6° | 102.3° |
| C8 | C9 | C6 | O2 | 2.8° | 1.9° |
| C8 | C9 | C6 | O4 | 117.5° | 118.7° |
| C8 | C9 | C6 | H16 | 119.8° | 118.6° |
| C8 | C9 | O4 | H16 | 121.8° | 122.7° |
| C8 | C9 | C6 | C5 | 115.3° | 121.4° |
| C8 | C9 | C6 | H12 | 121.5° | 117.6° |
| C9 | C8 | C7 | H13 | 84.1° | 81.5° |
| C9 | C8 | O3 | H15 | 66.2° | 67.3° |
| C8 | C9 | O4 | H17 | 180.0° | 61.5° |
| N8 | C17 | C16 | H27 | 120.4° | 119.9° |
| N8 | C17 | C16 | H28 | 120.4° | 120.0° |
| C17 | N8 | N10 | N9 | 179.8° | 179.9° |
| N8 | C17 | C16 | C15 | 132.3° | 179.9° |
| N8 | C17 | C16 | H25 | 107.1° | 60.0° |
| N8 | C17 | C16 | H26 | 11.6° | 60.0° |
| N8 | C17 | H27 | H28 | 118.7° | 120.0° |
| C17 | N8 | C18 | H29 | 0.3° | 0.0° |
| N10 | N8 | C17 | C16 | 37.9° | 55.0° |
| N10 | N8 | C17 | H27 | 82.5° | 175.0° |
| N10 | N8 | C17 | H28 | 158.3° | 64.9° |
| N10 | N8 | C18 | H29 | 179.8° | 179.7° |
| C17 | C16 | C15 | H25 | 120.6° | 120.1° |
| C17 | C16 | C15 | H26 | 120.6° | 119.9° |
| C17 | C16 | C15 | N2 | 157.9° | 175.6° |
| C17 | C16 | C15 | H23 | 81.9° | 55.6° |
| C17 | C16 | C15 | H24 | 37.6° | 64.4° |
| C17 | C16 | H25 | H26 | 118.1° | 120.0° |
| C16 | C17 | H27 | H28 | 118.8° | 120.0° |
| O2 | C6 | C9 | C5 | 118.1° | 119.5° |
| O2 | C6 | C9 | H12 | 118.7° | 119.5° |
| O2 | C6 | C9 | O4 | 114.7° | 120.6° |
| O2 | C6 | C5 | H12 | 119.5° | 121.0° |
| O2 | C6 | C5 | N2 | 179.0° | 65.2° |
| O2 | C6 | C5 | H10 | 58.1° | 54.9° |
| O2 | C6 | C5 | H11 | 60.1° | 174.9° |
| C6 | O2 | C7 | H13 | 84.1° | 78.5° |
| O2 | C6 | C9 | H16 | 122.6° | 116.7° |
| C16 | C15 | N2 | C5 | 85.8° | 146.8° |
| C16 | C15 | N2 | H23 | 120.3° | 120.1° |
| C16 | C15 | N2 | H24 | 120.3° | 119.9° |
| C16 | C15 | N2 | C4 | 149.7° | 89.3° |
| C16 | C15 | H23 | H24 | 119.2° | 120.0° |
| C15 | C16 | H25 | H26 | 118.2° | 120.0° |
| C15 | C16 | C17 | H27 | 11.9° | 60.0° |
| C15 | C16 | C17 | H28 | 107.3° | 60.1° |
| C6 | C9 | O4 | H16 | 122.0° | 122.7° |
| C9 | C6 | C5 | H12 | 123.4° | 121.0° |
| C9 | C6 | C5 | N2 | 61.9° | 176.9° |
| C9 | C6 | C5 | H10 | 58.9° | 63.1° |
| C9 | C6 | C5 | H11 | 177.2° | 56.9° |
| C6 | C9 | C8 | H14 | 95.6° | 97.2° |
| C6 | C9 | O4 | H17 | 63.9° | 176.1° |
| O4 | C9 | C6 | C5 | 127.1° | 119.9° |
| O4 | C9 | C6 | H12 | 3.9° | 1.1° |
| O4 | C9 | C8 | H14 | 146.8° | 144.0° |
| C6 | C5 | N2 | H10 | 120.9° | 120.0° |
| C6 | C5 | N2 | H11 | 120.9° | 119.9° |
| C6 | C5 | N2 | C15 | 177.0° | 154.4° |
| C6 | C5 | N2 | C4 | 60.8° | 81.7° |
| C6 | C5 | H10 | H11 | 117.3° | 120.0° |
| C5 | C6 | C9 | H16 | 4.5° | 2.8° |
| C5 | N2 | C15 | C4 | 124.5° | 123.9° |
| C5 | N2 | C4 | C3 | 65.7° | 161.2° |
| C5 | N2 | C4 | H7 | 55.1° | 41.1° |
| C5 | N2 | C4 | H8 | 173.6° | 78.8° |
| N2 | C5 | H10 | H11 | 117.3° | 120.0° |
| N2 | C5 | C6 | H12 | 61.5° | 55.8° |
| C5 | N2 | C15 | H23 | 154.0° | 26.7° |
| C5 | N2 | C15 | H24 | 34.5° | 93.3° |
| C15 | N2 | C4 | C3 | 56.2° | 74.9° |
| C15 | N2 | C4 | H7 | 177.0° | 165.0° |
| C15 | N2 | C4 | H8 | 64.5° | 45.1° |
| C15 | N2 | C5 | H10 | 56.1° | 85.6° |
| C15 | N2 | C5 | H11 | 62.1° | 34.4° |
| N2 | C15 | H23 | H24 | 119.2° | 120.0° |
| N2 | C15 | C16 | H25 | 37.3° | 64.3° |
| N2 | C15 | C16 | H26 | 81.5° | 55.7° |
| N2 | C4 | C3 | H7 | 120.7° | 120.1° |
| N2 | C4 | C3 | H8 | 120.7° | 120.0° |
| N2 | C4 | C3 | C2 | 176.3° | 173.4° |
| N2 | C4 | C3 | H5 | 63.3° | 66.6° |
| N2 | C4 | C3 | H6 | 55.8° | 53.4° |
| N2 | C4 | H7 | H8 | 117.8° | 120.0° |
| C4 | N2 | C5 | H10 | 178.3° | 38.4° |
| C4 | N2 | C5 | H11 | 60.0° | 158.4° |
| C4 | N2 | C15 | H23 | 29.4° | 150.6° |
| C4 | N2 | C15 | H24 | 90.0° | 30.7° |
| C4 | C3 | C2 | H5 | 120.4° | 120.1° |
| C4 | C3 | C2 | H6 | 120.5° | 120.0° |
| C4 | C3 | C2 | N1 | 142.5° | 65.0° |
| C4 | C3 | C2 | C1 | 99.0° | 174.9° |
| C4 | C3 | C2 | H1 | 21.0° | 55.0° |
| C4 | C3 | H5 | H6 | 118.7° | 120.0° |
| C3 | C4 | H7 | H8 | 117.8° | 120.0° |
| C3 | C2 | N1 | C1 | 119.3° | 120.0° |
| C3 | C2 | N1 | H1 | 120.4° | 120.0° |
| C3 | C2 | C1 | H1 | 119.8° | 120.0° |
| C3 | C2 | C1 | O1 | 81.7° | 100.0° |
| C3 | C2 | C1 | O5 | 98.5° | 79.8° |
| C3 | C2 | N1 | H2 | 180.0° | 176.0° |
| C3 | C2 | N1 | H3 | 60.0° | 60.0° |
| C2 | C3 | H5 | H6 | 118.7° | 120.0° |
| C2 | C3 | C4 | H7 | 55.5° | 53.3° |
| C2 | C3 | C4 | H8 | 63.0° | 66.6° |
| N1 | C2 | C1 | H1 | 121.3° | 120.0° |
| N1 | C2 | C1 | O1 | 37.1° | 20.0° |
| N1 | C2 | C1 | O5 | 142.7° | 160.2° |
| C2 | N1 | H2 | H3 | 120.0° | 123.9° |
| N1 | C2 | C3 | H5 | 97.1° | 55.0° |
| N1 | C2 | C3 | H6 | 22.1° | 175.0° |
| C2 | C1 | O1 | O5 | 179.8° | 179.8° |
| C1 | C2 | N1 | H2 | 60.8° | 64.0° |
| C1 | C2 | N1 | H3 | 59.3° | 60.0° |
| C1 | C2 | C3 | H5 | 21.4° | 65.0° |
| C1 | C2 | C3 | H6 | 140.5° | 55.0° |
| C2 | C1 | O5 | H22 | 179.8° | 179.7° |
| O1 | C1 | C2 | H1 | 158.5° | 140.0° |
| O1 | C1 | O5 | H22 | 0.0° | 0.1° |
| O5 | C1 | C2 | H1 | 21.3° | 40.3° |
| H1 | C2 | N1 | H2 | 59.6° | 56.0° |
| H1 | C2 | N1 | H3 | 179.6° | 180.0° |
| H1 | C2 | C3 | H5 | 141.4° | 175.0° |
| H1 | C2 | C3 | H6 | 99.4° | 65.0° |
| H5 | C3 | C4 | H7 | 175.9° | 173.4° |
| H5 | C3 | C4 | H8 | 57.4° | 53.4° |
| H6 | C3 | C4 | H7 | 64.9° | 66.6° |
| H6 | C3 | C4 | H8 | 176.5° | 173.4° |
| H10 | C5 | C6 | H12 | 177.6° | 175.9° |
| H11 | C5 | C6 | H12 | 59.4° | 64.1° |
| H12 | C6 | C9 | H16 | 118.7° | 123.8° |
| H13 | C7 | C8 | H14 | 158.2° | 160.3° |
| H14 | C8 | O3 | H15 | 57.1° | 56.4° |
| H14 | C8 | C9 | H16 | 24.3° | 21.3° |
| H16 | C9 | O4 | H17 | 58.2° | 61.2° |
| H23 | C15 | C16 | H25 | 157.5° | 175.6° |
| H23 | C15 | C16 | H26 | 38.7° | 64.4° |
| H24 | C15 | C16 | H25 | 83.0° | 55.7° |
| H24 | C15 | C16 | H26 | 158.2° | 175.7° |
| H25 | C16 | C17 | H27 | 132.5° | 180.0° |
| H25 | C16 | C17 | H28 | 13.3° | 60.0° |
| H26 | C16 | C17 | H27 | 108.8° | 59.9° |
| H26 | C16 | C17 | H28 | 132.0° | 180.0° |
| H30 | C20 | C21 | H32 | 33.3° | 64.9° |
| H31 | C20 | C21 | H32 | 84.6° | 175.0° |
| H32 | C21 | N11 | H33 | 60.6° | 56.1° |
| H32 | C21 | N11 | H34 | 179.4° | 180.0° |
