QII
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.38Å | 1.33Å | |
| C1 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.32Å | Aromatic |
| C5 | N5 | sing | 1.36Å | 1.38Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | O1 | sing | 1.44Å | 1.40Å | |
| O1 | C7 | sing | 1.44Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | N6 | sing | 1.47Å | 1.45Å | |
| N6 | C9 | sing | 1.47Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C12 | C13 | sing | 1.55Å | 1.50Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C14 | N7 | sing | 1.48Å | 1.47Å | |
| N6 | C15 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | N8 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C18 | O2 | doub | 1.21Å | 1.25Å | |
| C18 | O3 | sing | 1.34Å | 1.26Å | |
| C7 | C19 | sing | 1.54Å | 1.54Å | |
| C19 | O4 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C20 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | C20 | sing | 1.54Å | 1.53Å | |
| C3 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | N7 | sing | 1.47Å | 1.49Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| N7 | H20 | sing | 1.01Å | 1.00Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| N8 | H26 | sing | 1.01Å | 1.00Å | |
| N8 | H27 | sing | 1.01Å | 1.00Å | |
| O3 | H35 | sing | 0.97Å | 0.95Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| O4 | H30 | sing | 0.97Å | 0.95Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| O5 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 118.4° | 120.8° |
| N1 | C1 | C4 | 123.3° | 120.8° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N2 | C2 | 117.9° | 121.2° |
| N2 | C1 | C4 | 118.1° | 118.4° |
| N2 | C2 | N3 | 129.0° | 122.5° |
| N2 | C2 | H3 | 115.5° | 118.7° |
| C2 | N3 | C3 | 111.7° | 120.7° |
| N3 | C2 | H3 | 115.5° | 118.8° |
| N3 | C3 | C4 | 126.1° | 119.0° |
| N3 | C3 | N5 | 127.4° | 135.0° |
| C3 | C4 | N4 | 110.1° | 107.1° |
| C3 | C4 | C1 | 117.0° | 118.2° |
| C4 | C3 | N5 | 106.2° | 106.0° |
| C4 | N4 | C5 | 104.8° | 109.4° |
| N4 | C4 | C1 | 132.9° | 134.7° |
| N4 | C5 | N5 | 112.7° | 110.0° |
| N4 | C5 | H4 | 123.7° | 125.0° |
| C5 | N5 | C6 | 128.8° | 126.3° |
| C5 | N5 | C3 | 106.0° | 107.5° |
| N5 | C5 | H4 | 123.6° | 125.0° |
| N5 | C6 | O1 | 106.8° | 110.3° |
| N5 | C6 | C20 | 115.1° | 110.4° |
| C6 | N5 | C3 | 124.4° | 126.2° |
| N5 | C6 | H5 | 110.3° | 110.4° |
| C6 | O1 | C7 | 107.2° | 105.2° |
| O1 | C6 | C20 | 104.4° | 104.8° |
| O1 | C6 | H5 | 110.9° | 110.4° |
| O1 | C7 | C8 | 109.1° | 110.3° |
| O1 | C7 | C19 | 106.7° | 104.8° |
| O1 | C7 | H6 | 109.3° | 110.4° |
| C7 | C8 | N6 | 112.1° | 109.4° |
| C8 | C7 | C19 | 114.7° | 110.3° |
| C7 | C8 | H7 | 108.8° | 109.4° |
| C7 | C8 | H8 | 108.8° | 109.5° |
| C8 | C7 | H6 | 108.6° | 110.3° |
| C8 | N6 | C9 | 113.3° | 111.0° |
| C8 | N6 | C15 | 114.2° | 111.0° |
| N6 | C8 | H7 | 108.8° | 109.5° |
| N6 | C8 | H8 | 108.8° | 109.4° |
| N6 | C9 | C10 | 114.2° | 109.5° |
| C9 | N6 | C15 | 111.7° | 111.0° |
| N6 | C9 | H9 | 108.3° | 109.5° |
| N6 | C9 | H10 | 108.3° | 109.5° |
| C9 | C10 | C11 | 112.4° | 109.5° |
| C10 | C9 | H9 | 108.3° | 109.4° |
| C10 | C9 | H10 | 108.3° | 109.5° |
| C9 | C10 | H11 | 108.7° | 109.5° |
| C9 | C10 | H12 | 108.7° | 109.5° |
| C10 | C11 | C12 | 112.5° | 109.9° |
| C10 | C11 | N7 | 111.9° | 109.9° |
| C10 | C11 | H13 | 108.4° | 110.0° |
| C11 | C10 | H11 | 108.7° | 109.5° |
| C11 | C10 | H12 | 108.8° | 109.5° |
| C11 | C12 | C13 | 105.5° | 103.0° |
| C12 | C11 | N7 | 106.8° | 107.2° |
| C11 | C12 | H15 | 110.4° | 110.7° |
| C11 | C12 | H14 | 110.4° | 110.8° |
| C12 | C11 | H13 | 108.3° | 109.9° |
| C12 | C13 | C14 | 103.6° | 101.6° |
| C13 | C12 | H15 | 110.5° | 110.7° |
| C13 | C12 | H14 | 110.5° | 110.7° |
| C12 | C13 | H16 | 110.9° | 111.0° |
| C12 | C13 | H17 | 110.9° | 111.0° |
| C13 | C14 | N7 | 109.1° | 104.8° |
| C13 | C14 | H18 | 109.6° | 110.4° |
| C13 | C14 | H19 | 109.6° | 110.5° |
| C14 | C13 | H16 | 110.9° | 111.0° |
| C14 | C13 | H17 | 110.9° | 111.0° |
| C14 | N7 | C11 | 106.8° | 108.6° |
| N7 | C14 | H18 | 109.6° | 110.4° |
| N7 | C14 | H19 | 109.6° | 110.4° |
| C14 | N7 | H20 | 110.1° | 111.0° |
| N6 | C15 | C16 | 109.5° | 109.5° |
| N6 | C15 | H21 | 109.4° | 109.5° |
| N6 | C15 | H22 | 109.4° | 109.4° |
| C15 | C16 | C17 | 115.2° | 109.5° |
| C15 | C16 | H23 | 108.0° | 109.4° |
| C15 | C16 | H24 | 108.0° | 109.5° |
| C16 | C15 | H21 | 109.5° | 109.5° |
| C16 | C15 | H22 | 109.5° | 109.5° |
| C16 | C17 | N8 | 109.6° | 109.5° |
| C16 | C17 | C18 | 111.9° | 109.5° |
| C17 | C16 | H23 | 108.0° | 109.5° |
| C17 | C16 | H24 | 108.0° | 109.4° |
| C16 | C17 | H25 | 108.3° | 109.4° |
| N8 | C17 | C18 | 109.9° | 109.5° |
| N8 | C17 | H25 | 108.8° | 109.5° |
| C17 | N8 | H26 | 109.5° | 111.0° |
| C17 | N8 | H27 | 109.5° | 111.0° |
| C17 | C18 | O2 | 117.1° | 120.0° |
| C17 | C18 | O3 | 116.5° | 120.0° |
| C18 | C17 | H25 | 108.2° | 109.5° |
| O2 | C18 | O3 | 126.3° | 120.0° |
| C18 | O3 | H35 | 109.5° | 117.0° |
| C7 | C19 | O4 | 112.6° | 110.5° |
| C7 | C19 | C20 | 103.4° | 104.0° |
| C19 | C7 | H6 | 108.3° | 110.5° |
| C7 | C19 | H29 | 108.8° | 110.5° |
| O4 | C19 | C20 | 112.6° | 110.5° |
| O4 | C19 | H29 | 110.3° | 110.4° |
| C19 | O4 | H30 | 109.5° | 114.0° |
| C19 | C20 | O5 | 117.9° | 110.5° |
| C19 | C20 | C6 | 101.7° | 104.1° |
| C20 | C19 | H29 | 108.9° | 110.7° |
| C19 | C20 | H31 | 107.1° | 110.5° |
| O5 | C20 | C6 | 113.5° | 110.5° |
| O5 | C20 | H31 | 108.7° | 110.5° |
| C20 | O5 | H32 | 109.5° | 114.1° |
| C20 | C6 | H5 | 109.1° | 110.4° |
| C6 | C20 | H31 | 107.2° | 110.6° |
| N7 | C11 | H13 | 108.8° | 109.9° |
| C11 | N7 | H20 | 110.1° | 111.0° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 110.3° |
| H15 | C12 | H14 | 109.5° | 110.6° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 110.9° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.6° |
| H2 | N1 | H1 | 109.5° | 120.0° |
| H26 | N8 | H27 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C4 | 175.8° | 179.9° |
| N1 | C1 | N2 | C2 | 178.6° | 180.0° |
| N1 | C1 | C4 | C3 | 179.1° | 179.9° |
| N1 | C1 | C4 | N4 | 2.9° | 0.0° |
| C1 | N1 | H2 | H1 | 120.0° | 180.0° |
| C1 | N2 | C2 | N3 | 2.6° | 0.0° |
| N2 | C1 | C4 | C3 | 3.5° | 0.0° |
| N2 | C1 | C4 | N4 | 178.5° | 179.9° |
| N2 | C1 | N1 | H2 | 0.0° | 0.0° |
| N2 | C1 | N1 | H1 | 120.0° | 180.0° |
| C1 | N2 | C2 | H3 | 177.3° | 179.9° |
| N2 | C2 | N3 | H3 | 180.0° | 179.9° |
| N2 | C2 | N3 | C3 | 2.7° | 0.1° |
| C2 | N2 | C1 | C4 | 2.8° | 0.0° |
| C2 | N3 | C3 | C4 | 3.5° | 0.1° |
| C2 | N3 | C3 | N5 | 175.6° | 180.0° |
| N3 | C3 | C4 | N5 | 173.5° | 180.0° |
| N3 | C3 | C4 | N4 | 177.5° | 180.0° |
| N3 | C3 | N5 | C5 | 178.1° | 180.0° |
| N3 | C3 | N5 | C6 | 11.3° | 0.0° |
| N3 | C3 | C4 | C1 | 4.1° | 0.1° |
| C3 | N3 | C2 | H3 | 177.2° | 180.0° |
| C3 | C4 | N4 | C1 | 178.1° | 179.9° |
| C3 | C4 | N4 | C5 | 1.5° | 0.0° |
| C4 | C3 | N5 | C5 | 4.7° | 0.0° |
| C4 | C3 | N5 | C6 | 175.3° | 179.9° |
| C4 | N4 | C5 | N5 | 1.7° | 0.0° |
| N4 | C4 | C3 | N5 | 4.0° | 0.0° |
| C4 | N4 | C5 | H4 | 178.3° | 180.0° |
| N4 | C5 | N5 | H4 | 180.0° | 180.0° |
| N4 | C5 | N5 | C6 | 174.1° | 180.0° |
| C5 | N4 | C4 | C1 | 179.6° | 180.0° |
| N4 | C5 | N5 | C3 | 4.1° | 0.0° |
| C5 | N5 | C6 | C3 | 168.3° | 180.0° |
| C5 | N5 | C6 | O1 | 73.9° | 25.7° |
| C5 | N5 | C6 | C20 | 41.4° | 89.6° |
| C5 | N5 | C6 | H5 | 165.4° | 148.1° |
| N5 | C6 | O1 | C20 | 122.3° | 118.8° |
| N5 | C6 | O1 | H5 | 120.2° | 122.3° |
| N5 | C6 | O1 | C7 | 160.8° | 159.4° |
| N5 | C6 | C20 | C19 | 157.0° | 142.8° |
| N5 | C6 | C20 | O5 | 75.3° | 98.5° |
| N5 | C6 | C20 | H5 | 124.6° | 122.3° |
| C6 | N5 | C5 | H4 | 5.9° | 0.0° |
| N5 | C6 | C20 | H31 | 44.7° | 24.1° |
| C6 | O1 | C7 | C8 | 145.3° | 159.4° |
| C6 | O1 | C7 | C19 | 20.9° | 40.6° |
| O1 | C6 | C20 | C19 | 40.3° | 24.0° |
| O1 | C6 | C20 | O5 | 167.9° | 142.7° |
| O1 | C6 | C20 | H5 | 118.7° | 118.9° |
| O1 | C6 | N5 | C3 | 94.3° | 154.2° |
| C6 | O1 | C7 | H6 | 96.0° | 78.4° |
| O1 | C6 | C20 | H31 | 72.0° | 94.7° |
| O1 | C7 | C8 | C19 | 119.6° | 115.3° |
| O1 | C7 | C8 | H6 | 119.1° | 122.2° |
| O1 | C7 | C8 | N6 | 173.9° | 64.6° |
| O1 | C7 | C19 | H6 | 117.6° | 118.9° |
| O1 | C7 | C19 | O4 | 116.8° | 142.7° |
| O1 | C7 | C19 | C20 | 4.9° | 24.0° |
| C7 | O1 | C6 | C20 | 38.5° | 40.6° |
| O1 | C7 | C8 | H7 | 65.6° | 175.4° |
| O1 | C7 | C8 | H8 | 53.5° | 55.3° |
| C7 | O1 | C6 | H5 | 79.0° | 78.3° |
| O1 | C7 | C19 | H29 | 120.6° | 94.8° |
| C7 | C8 | N6 | H7 | 120.4° | 119.9° |
| C7 | C8 | N6 | H8 | 120.4° | 119.9° |
| C7 | C8 | N6 | C9 | 145.4° | 160.9° |
| C7 | C8 | N6 | C15 | 85.2° | 75.1° |
| C8 | C7 | C19 | H6 | 121.5° | 122.3° |
| C8 | C7 | C19 | O4 | 122.3° | 98.6° |
| C8 | C7 | C19 | C20 | 116.0° | 142.8° |
| C7 | C8 | H7 | H8 | 118.7° | 120.0° |
| C8 | C7 | C19 | H29 | 0.3° | 24.0° |
| C8 | N6 | C9 | C15 | 130.6° | 124.0° |
| C8 | N6 | C9 | C10 | 60.5° | 168.0° |
| C8 | N6 | C15 | C16 | 122.4° | 60.9° |
| N6 | C8 | C7 | C19 | 66.5° | 180.0° |
| C8 | N6 | C9 | H9 | 178.9° | 72.1° |
| C8 | N6 | C9 | H10 | 60.2° | 48.0° |
| C8 | N6 | C15 | H21 | 117.6° | 179.1° |
| C8 | N6 | C15 | H22 | 2.4° | 59.1° |
| N6 | C8 | H7 | H8 | 118.8° | 120.0° |
| N6 | C8 | C7 | H6 | 54.8° | 57.6° |
| N6 | C9 | C10 | H9 | 120.7° | 120.0° |
| N6 | C9 | C10 | H10 | 120.7° | 120.0° |
| N6 | C9 | C10 | C11 | 165.6° | 177.9° |
| C9 | N6 | C15 | C16 | 107.4° | 63.1° |
| N6 | C9 | H9 | H10 | 117.9° | 120.0° |
| C9 | N6 | C15 | H21 | 12.6° | 57.0° |
| C9 | N6 | C15 | H22 | 132.6° | 177.0° |
| N6 | C9 | C10 | H11 | 74.0° | 57.9° |
| N6 | C9 | C10 | H12 | 45.1° | 62.0° |
| C9 | N6 | C8 | H7 | 25.0° | 41.0° |
| C9 | N6 | C8 | H8 | 94.2° | 79.1° |
| C9 | C10 | C11 | H11 | 120.4° | 120.0° |
| C9 | C10 | C11 | H12 | 120.4° | 120.0° |
| C9 | C10 | C11 | C12 | 59.1° | 175.0° |
| C10 | C9 | N6 | C15 | 70.1° | 68.0° |
| C9 | C10 | C11 | N7 | 179.4° | 67.3° |
| C10 | C9 | H9 | H10 | 117.8° | 120.0° |
| C9 | C10 | C11 | H13 | 60.6° | 53.9° |
| C9 | C10 | H11 | H12 | 118.6° | 120.0° |
| C10 | C11 | C12 | N7 | 123.1° | 119.4° |
| C10 | C11 | C12 | H13 | 119.8° | 121.2° |
| C10 | C11 | C12 | C13 | 148.3° | 141.7° |
| C10 | C11 | N7 | C14 | 134.4° | 118.4° |
| C10 | C11 | N7 | H13 | 119.8° | 121.2° |
| C10 | C11 | C12 | H15 | 92.4° | 23.3° |
| C10 | C11 | C12 | H14 | 28.9° | 99.9° |
| C11 | C10 | C9 | H9 | 44.9° | 58.0° |
| C11 | C10 | C9 | H10 | 73.7° | 62.0° |
| C11 | C10 | H11 | H12 | 118.7° | 120.0° |
| C10 | C11 | N7 | H20 | 106.0° | 119.3° |
| C11 | C12 | C13 | H15 | 119.3° | 118.4° |
| C11 | C12 | C13 | H14 | 119.3° | 118.6° |
| C11 | C12 | C13 | C14 | 28.7° | 35.7° |
| C12 | C11 | N7 | C14 | 10.9° | 1.0° |
| C12 | C11 | N7 | H13 | 116.7° | 119.4° |
| C11 | C12 | H15 | H14 | 121.8° | 123.3° |
| C11 | C12 | C13 | H16 | 90.4° | 153.7° |
| C11 | C12 | C13 | H17 | 147.7° | 82.4° |
| C12 | C11 | C10 | H11 | 61.3° | 55.0° |
| C12 | C11 | C10 | H12 | 179.5° | 65.0° |
| C12 | C11 | N7 | H20 | 130.5° | 121.3° |
| C12 | C13 | C14 | H16 | 119.1° | 118.1° |
| C12 | C13 | C14 | H17 | 119.0° | 118.1° |
| C12 | C13 | C14 | N7 | 22.7° | 37.0° |
| C13 | C12 | C11 | N7 | 25.2° | 22.3° |
| C12 | C13 | C14 | H18 | 142.7° | 155.9° |
| C12 | C13 | C14 | H19 | 97.2° | 81.9° |
| C13 | C12 | H15 | H14 | 121.9° | 123.1° |
| C12 | C13 | H16 | H17 | 122.7° | 123.9° |
| C13 | C12 | C11 | H13 | 91.9° | 97.1° |
| C13 | C14 | N7 | H18 | 119.9° | 118.8° |
| C13 | C14 | N7 | H19 | 119.9° | 119.0° |
| C13 | C14 | N7 | C11 | 7.3° | 24.1° |
| C13 | C14 | H18 | H19 | 120.2° | 122.4° |
| C14 | C13 | C12 | H15 | 148.0° | 82.7° |
| C14 | C13 | C12 | H14 | 90.7° | 154.2° |
| C14 | C13 | H16 | H17 | 122.7° | 123.9° |
| C13 | C14 | N7 | H20 | 112.2° | 98.2° |
| C14 | N7 | C11 | H20 | 119.6° | 122.3° |
| N7 | C14 | H18 | H19 | 120.2° | 122.2° |
| N7 | C14 | C13 | H16 | 96.3° | 155.1° |
| N7 | C14 | C13 | H17 | 141.8° | 81.0° |
| C14 | N7 | C11 | H13 | 105.8° | 120.4° |
| N6 | C15 | C16 | H21 | 120.0° | 120.0° |
| N6 | C15 | C16 | H22 | 120.0° | 119.9° |
| N6 | C15 | C16 | C17 | 169.9° | 173.3° |
| N6 | C15 | C16 | H23 | 69.2° | 53.3° |
| N6 | C15 | C16 | H24 | 49.1° | 66.7° |
| C15 | N6 | C9 | H9 | 50.5° | 51.9° |
| C15 | N6 | C9 | H10 | 169.2° | 171.9° |
| N6 | C15 | H21 | H22 | 120.0° | 120.0° |
| C15 | N6 | C8 | H7 | 154.4° | 164.9° |
| C15 | N6 | C8 | H8 | 35.2° | 44.8° |
| C15 | C16 | C17 | H23 | 120.9° | 120.0° |
| C15 | C16 | C17 | H24 | 120.9° | 120.0° |
| C15 | C16 | C17 | N8 | 58.1° | 62.0° |
| C15 | C16 | C17 | C18 | 64.2° | 178.0° |
| C15 | C16 | H23 | H24 | 117.4° | 120.0° |
| C16 | C15 | H21 | H22 | 120.0° | 120.0° |
| C15 | C16 | C17 | H25 | 176.7° | 58.0° |
| C16 | C17 | N8 | C18 | 123.4° | 120.0° |
| C16 | C17 | N8 | H25 | 118.3° | 120.0° |
| C16 | C17 | C18 | H25 | 119.2° | 120.0° |
| C16 | C17 | C18 | O2 | 109.9° | 100.0° |
| C16 | C17 | C18 | O3 | 69.7° | 80.0° |
| C17 | C16 | H23 | H24 | 117.4° | 120.0° |
| C17 | C16 | C15 | H21 | 49.9° | 53.3° |
| C17 | C16 | C15 | H22 | 70.1° | 66.7° |
| C16 | C17 | N8 | H26 | 180.0° | 55.0° |
| C16 | C17 | N8 | H27 | 60.0° | 68.9° |
| N8 | C17 | C18 | H25 | 118.7° | 120.0° |
| N8 | C17 | C18 | O2 | 12.2° | 20.0° |
| N8 | C17 | C18 | O3 | 168.2° | 160.0° |
| N8 | C17 | C16 | H23 | 62.8° | 178.0° |
| N8 | C17 | C16 | H24 | 178.9° | 58.0° |
| C17 | N8 | H26 | H27 | 120.0° | 123.9° |
| C17 | C18 | O2 | O3 | 179.5° | 179.9° |
| C18 | C17 | C16 | H23 | 175.0° | 58.0° |
| C18 | C17 | C16 | H24 | 56.7° | 62.0° |
| C18 | C17 | N8 | H26 | 56.5° | 65.0° |
| C18 | C17 | N8 | H27 | 63.4° | 171.1° |
| C17 | C18 | O3 | H35 | 179.5° | 180.0° |
| O2 | C18 | C17 | H25 | 130.9° | 140.0° |
| O2 | C18 | O3 | H35 | 0.0° | 0.1° |
| O3 | C18 | C17 | H25 | 49.6° | 40.0° |
| C7 | C19 | O4 | C20 | 116.4° | 114.6° |
| C7 | C19 | O4 | H29 | 121.7° | 122.6° |
| C7 | C19 | C20 | H29 | 115.6° | 118.7° |
| C7 | C19 | C20 | O5 | 151.1° | 118.7° |
| C7 | C19 | C20 | C6 | 26.3° | 0.0° |
| C19 | C7 | C8 | H7 | 54.0° | 60.0° |
| C19 | C7 | C8 | H8 | 173.1° | 60.0° |
| C7 | C19 | O4 | H30 | 180.0° | 180.0° |
| C7 | C19 | C20 | H31 | 86.1° | 118.7° |
| O4 | C19 | C20 | H29 | 122.6° | 122.7° |
| O4 | C19 | C20 | O5 | 29.3° | 0.1° |
| O4 | C19 | C20 | C6 | 95.5° | 118.6° |
| O4 | C19 | C7 | H6 | 0.8° | 23.8° |
| O4 | C19 | C20 | H31 | 152.2° | 122.7° |
| C19 | C20 | O5 | C6 | 118.7° | 114.7° |
| C19 | C20 | O5 | H31 | 122.1° | 122.6° |
| C19 | C20 | C6 | H31 | 112.3° | 118.7° |
| C20 | C19 | C7 | H6 | 122.6° | 94.9° |
| C19 | C20 | C6 | H5 | 78.4° | 94.9° |
| C20 | C19 | O4 | H30 | 63.6° | 65.4° |
| C19 | C20 | O5 | H32 | 180.0° | 65.3° |
| O5 | C20 | C6 | H31 | 120.0° | 122.6° |
| O5 | C20 | C6 | H5 | 49.3° | 23.8° |
| O5 | C20 | C19 | H29 | 93.3° | 122.6° |
| C1 | C4 | C3 | N5 | 177.6° | 180.0° |
| C4 | C1 | N1 | H2 | 175.6° | 180.0° |
| C4 | C1 | N1 | H1 | 64.4° | 0.1° |
| C20 | C6 | N5 | C3 | 150.3° | 90.4° |
| C6 | C20 | C19 | H29 | 141.9° | 118.7° |
| C6 | C20 | O5 | H32 | 61.3° | 180.0° |
| C3 | N5 | C5 | H4 | 175.8° | 180.0° |
| C3 | N5 | C6 | H5 | 26.3° | 31.9° |
| C11 | N7 | C14 | H18 | 127.3° | 142.9° |
| C11 | N7 | C14 | H19 | 112.6° | 94.9° |
| N7 | C11 | C12 | H15 | 144.5° | 96.1° |
| N7 | C11 | C12 | H14 | 94.2° | 140.8° |
| N7 | C11 | C10 | H11 | 58.9° | 172.7° |
| N7 | C11 | C10 | H12 | 60.2° | 52.7° |
| H23 | C16 | C15 | H21 | 170.8° | 66.8° |
| H23 | C16 | C15 | H22 | 50.8° | 173.2° |
| H23 | C16 | C17 | H25 | 55.8° | 62.0° |
| H24 | C16 | C15 | H21 | 70.9° | 173.3° |
| H24 | C16 | C15 | H22 | 169.1° | 53.2° |
| H24 | C16 | C17 | H25 | 62.5° | 178.0° |
| H18 | C14 | C13 | H16 | 23.6° | 86.0° |
| H18 | C14 | C13 | H17 | 98.3° | 37.8° |
| H18 | C14 | N7 | H20 | 7.7° | 20.7° |
| H19 | C14 | C13 | H16 | 143.7° | 36.2° |
| H19 | C14 | C13 | H17 | 21.8° | 160.1° |
| H19 | C14 | N7 | H20 | 127.8° | 142.9° |
| H15 | C12 | C13 | H16 | 28.9° | 35.3° |
| H15 | C12 | C13 | H17 | 92.9° | 159.2° |
| H15 | C12 | C11 | H13 | 27.5° | 144.5° |
| H14 | C12 | C13 | H16 | 150.3° | 87.7° |
| H14 | C12 | C13 | H17 | 28.4° | 36.1° |
| H14 | C12 | C11 | H13 | 148.7° | 21.3° |
| H9 | C9 | C10 | H11 | 165.3° | 62.0° |
| H9 | C9 | C10 | H12 | 75.6° | 178.0° |
| H10 | C9 | C10 | H11 | 46.7° | 178.0° |
| H10 | C9 | C10 | H12 | 165.8° | 58.0° |
| H13 | C11 | C10 | H11 | 179.0° | 66.1° |
| H13 | C11 | C10 | H12 | 59.8° | 173.9° |
| H13 | C11 | N7 | H20 | 13.8° | 1.9° |
| H7 | C8 | C7 | H6 | 175.2° | 62.4° |
| H8 | C8 | C7 | H6 | 65.6° | 177.5° |
| H6 | C7 | C19 | H29 | 121.8° | 146.3° |
| H5 | C6 | C20 | H31 | 169.3° | 146.5° |
| H25 | C17 | N8 | H26 | 61.7° | 175.0° |
| H25 | C17 | N8 | H27 | 178.3° | 51.1° |
| H29 | C19 | O4 | H30 | 58.3° | 57.4° |
| H29 | C19 | C20 | H31 | 29.5° | 0.0° |
| H31 | C20 | O5 | H32 | 57.9° | 57.3° |
