A1IC3
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 | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.32Å | Aromatic |
| C5 | N5 | sing | 1.36Å | 1.37Å | Aromatic |
| N5 | C6 | sing | 1.46Å | 1.45Å | |
| C6 | O1 | sing | 1.44Å | 1.41Å | |
| O1 | C7 | sing | 1.44Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N6 | sing | 1.47Å | 1.51Å | |
| N6 | C9 | sing | 1.47Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | N7 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | O2 | doub | 1.21Å | 1.25Å | |
| C12 | O3 | sing | 1.34Å | 1.22Å | |
| N6 | C13 | sing | 1.47Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | N8 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | O4 | doub | 1.21Å | 1.23Å | |
| C16 | O5 | sing | 1.34Å | 1.28Å | |
| C7 | C17 | sing | 1.54Å | 1.53Å | |
| C17 | O6 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.55Å | 1.52Å | |
| C18 | O7 | sing | 1.43Å | 1.41Å | |
| C1 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | C18 | sing | 1.55Å | 1.52Å | |
| C3 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| N7 | H14 | sing | 1.01Å | 1.00Å | |
| N7 | H15 | sing | 1.01Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| N8 | H23 | sing | 1.01Å | 1.00Å | |
| N8 | H22 | sing | 1.01Å | 1.00Å | |
| O5 | H31 | sing | 0.97Å | 0.95Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 119.1° | 120.7° |
| N1 | C1 | C4 | 122.9° | 120.8° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.4° | 120.0° |
| C1 | N2 | C2 | 117.5° | 121.2° |
| N2 | C1 | C4 | 118.0° | 118.5° |
| N2 | C2 | N3 | 129.6° | 122.5° |
| N2 | C2 | H3 | 115.2° | 118.8° |
| C2 | N3 | C3 | 110.9° | 120.6° |
| N3 | C2 | H3 | 115.2° | 118.7° |
| N3 | C3 | C4 | 126.6° | 119.1° |
| N3 | C3 | N5 | 126.7° | 134.9° |
| C3 | C4 | N4 | 110.0° | 107.1° |
| C3 | C4 | C1 | 117.3° | 118.2° |
| C4 | C3 | N5 | 106.5° | 106.0° |
| C4 | N4 | C5 | 104.5° | 109.5° |
| N4 | C4 | C1 | 132.6° | 134.7° |
| N4 | C5 | N5 | 112.8° | 109.9° |
| N4 | C5 | H4 | 123.6° | 125.0° |
| C5 | N5 | C6 | 128.8° | 126.3° |
| C5 | N5 | C3 | 106.0° | 107.4° |
| N5 | C5 | H4 | 123.6° | 125.0° |
| N5 | C6 | O1 | 107.9° | 110.4° |
| N5 | C6 | C18 | 115.3° | 110.4° |
| C6 | N5 | C3 | 124.8° | 126.3° |
| N5 | C6 | H5 | 109.7° | 110.3° |
| C6 | O1 | C7 | 108.2° | 105.3° |
| O1 | C6 | C18 | 104.8° | 104.8° |
| O1 | C6 | H5 | 110.3° | 110.4° |
| O1 | C7 | C8 | 107.9° | 110.4° |
| O1 | C7 | C17 | 105.9° | 104.8° |
| O1 | C7 | H6 | 109.2° | 110.4° |
| C7 | C8 | N6 | 114.1° | 109.5° |
| C8 | C7 | C17 | 117.3° | 110.4° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| C7 | C8 | H7 | 108.3° | 109.5° |
| C8 | C7 | H6 | 108.2° | 110.3° |
| C8 | N6 | C9 | 111.2° | 111.0° |
| C8 | N6 | C13 | 111.3° | 111.0° |
| N6 | C8 | H8 | 108.3° | 109.5° |
| N6 | C8 | H7 | 108.3° | 109.5° |
| N6 | C9 | C10 | 112.2° | 109.4° |
| C9 | N6 | C13 | 113.1° | 111.0° |
| N6 | C9 | H10 | 108.8° | 109.5° |
| N6 | C9 | H9 | 108.8° | 109.5° |
| C9 | C10 | C11 | 117.5° | 109.5° |
| C10 | C9 | H10 | 108.8° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.4° |
| C9 | C10 | H11 | 107.4° | 109.5° |
| C9 | C10 | H12 | 107.4° | 109.5° |
| C10 | C11 | N7 | 112.1° | 109.5° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C11 | C10 | H11 | 107.4° | 109.5° |
| C11 | C10 | H12 | 107.4° | 109.4° |
| C10 | C11 | H13 | 107.4° | 109.4° |
| N7 | C11 | C12 | 109.1° | 109.5° |
| C11 | N7 | H14 | 109.5° | 111.0° |
| C11 | N7 | H15 | 109.5° | 111.0° |
| N7 | C11 | H13 | 108.0° | 109.5° |
| C11 | C12 | O2 | 117.5° | 120.0° |
| C11 | C12 | O3 | 115.8° | 120.0° |
| C12 | C11 | H13 | 107.6° | 109.5° |
| O2 | C12 | O3 | 126.7° | 120.0° |
| C12 | O3 | H30 | 109.5° | 116.9° |
| N6 | C13 | C14 | 112.4° | 109.5° |
| N6 | C13 | H17 | 108.7° | 109.4° |
| N6 | C13 | H18 | 108.7° | 109.5° |
| C13 | C14 | C15 | 109.3° | 109.5° |
| C14 | C13 | H17 | 108.7° | 109.5° |
| C14 | C13 | H18 | 108.8° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C14 | C15 | N8 | 107.9° | 109.5° |
| C14 | C15 | C16 | 109.1° | 109.5° |
| C15 | C14 | H20 | 109.5° | 109.4° |
| C15 | C14 | H19 | 109.5° | 109.4° |
| C14 | C15 | H21 | 110.0° | 109.5° |
| N8 | C15 | C16 | 109.0° | 109.5° |
| N8 | C15 | H21 | 110.7° | 109.4° |
| C15 | N8 | H23 | 109.5° | 111.0° |
| C15 | N8 | H22 | 109.5° | 111.0° |
| C15 | C16 | O4 | 115.5° | 120.0° |
| C15 | C16 | O5 | 117.3° | 120.0° |
| C16 | C15 | H21 | 110.0° | 109.5° |
| O4 | C16 | O5 | 126.8° | 120.0° |
| C16 | O5 | H31 | 109.5° | 116.9° |
| C7 | C17 | O6 | 110.5° | 110.5° |
| C7 | C17 | C18 | 104.6° | 104.1° |
| C7 | C17 | H25 | 108.7° | 110.6° |
| C17 | C7 | H6 | 108.1° | 110.5° |
| O6 | C17 | C18 | 113.8° | 110.5° |
| O6 | C17 | H25 | 110.2° | 110.4° |
| C17 | O6 | H26 | 109.5° | 114.0° |
| C17 | C18 | O7 | 116.4° | 110.5° |
| C17 | C18 | C6 | 100.7° | 104.0° |
| C18 | C17 | H25 | 108.8° | 110.5° |
| C17 | C18 | H27 | 108.3° | 110.5° |
| O7 | C18 | C6 | 112.8° | 110.5° |
| O7 | C18 | H27 | 109.8° | 110.6° |
| C18 | O7 | H28 | 109.5° | 114.0° |
| C18 | C6 | H5 | 108.7° | 110.5° |
| C6 | C18 | H27 | 108.3° | 110.5° |
| H14 | N7 | H15 | 109.4° | 111.0° |
| H8 | C8 | H7 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H20 | C14 | H19 | 109.4° | 109.5° |
| H2 | N1 | H1 | 109.4° | 120.0° |
| H10 | C9 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H23 | N8 | H22 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C4 | 179.2° | 179.8° |
| N1 | C1 | N2 | C2 | 179.2° | 179.8° |
| N1 | C1 | C4 | C3 | 179.3° | 179.8° |
| N1 | C1 | C4 | N4 | 3.0° | 0.3° |
| C1 | N1 | H2 | H1 | 120.0° | 179.9° |
| C1 | N2 | C2 | N3 | 0.6° | 0.0° |
| N2 | C1 | C4 | C3 | 0.1° | 0.0° |
| N2 | C1 | C4 | N4 | 177.8° | 180.0° |
| C1 | N2 | C2 | H3 | 179.4° | 180.0° |
| N2 | C1 | N1 | H2 | 0.0° | 0.1° |
| N2 | C1 | N1 | H1 | 120.0° | 180.0° |
| N2 | C2 | N3 | H3 | 180.0° | 180.0° |
| N2 | C2 | N3 | C3 | 1.0° | 0.0° |
| C2 | N2 | C1 | C4 | 0.0° | 0.0° |
| C2 | N3 | C3 | C4 | 0.8° | 0.0° |
| C2 | N3 | C3 | N5 | 176.8° | 180.0° |
| N3 | C3 | C4 | N5 | 176.6° | 180.0° |
| N3 | C3 | C4 | N4 | 177.8° | 180.0° |
| N3 | C3 | N5 | C5 | 178.8° | 180.0° |
| N3 | C3 | N5 | C6 | 7.8° | 0.0° |
| N3 | C3 | C4 | C1 | 0.4° | 0.0° |
| C3 | N3 | C2 | H3 | 179.0° | 180.0° |
| C3 | C4 | N4 | C1 | 177.9° | 180.0° |
| C3 | C4 | N4 | C5 | 0.3° | 0.1° |
| C4 | C3 | N5 | C5 | 2.2° | 0.0° |
| C4 | C3 | N5 | C6 | 175.6° | 180.0° |
| C4 | N4 | C5 | N5 | 1.8° | 0.0° |
| N4 | C4 | C3 | N5 | 1.2° | 0.0° |
| C4 | N4 | C5 | H4 | 178.2° | 180.0° |
| N4 | C5 | N5 | H4 | 180.0° | 179.9° |
| N4 | C5 | N5 | C6 | 175.6° | 179.9° |
| C5 | N4 | C4 | C1 | 178.2° | 180.0° |
| N4 | C5 | N5 | C3 | 2.6° | 0.0° |
| C5 | N5 | C6 | C3 | 171.8° | 180.0° |
| C5 | N5 | C6 | O1 | 76.8° | 28.3° |
| C5 | N5 | C6 | C18 | 39.9° | 87.1° |
| C5 | N5 | C6 | H5 | 163.0° | 150.5° |
| N5 | C6 | O1 | C18 | 123.3° | 118.9° |
| N5 | C6 | O1 | H5 | 119.8° | 122.2° |
| N5 | C6 | O1 | C7 | 158.8° | 159.3° |
| N5 | C6 | C18 | C17 | 158.3° | 142.8° |
| N5 | C6 | C18 | O7 | 77.0° | 98.5° |
| N5 | C6 | C18 | H5 | 123.6° | 122.3° |
| N5 | C6 | C18 | H27 | 44.7° | 24.2° |
| C6 | N5 | C5 | H4 | 4.4° | 0.0° |
| C6 | O1 | C7 | C8 | 142.3° | 159.4° |
| C6 | O1 | C7 | C17 | 15.9° | 40.5° |
| O1 | C6 | C18 | C17 | 39.8° | 24.0° |
| O1 | C6 | C18 | O7 | 164.6° | 142.6° |
| O1 | C6 | C18 | H5 | 117.9° | 118.9° |
| O1 | C6 | N5 | C3 | 95.0° | 151.6° |
| O1 | C6 | C18 | H27 | 73.7° | 94.6° |
| C6 | O1 | C7 | H6 | 100.2° | 78.4° |
| O1 | C7 | C8 | C17 | 119.4° | 115.4° |
| O1 | C7 | C8 | H6 | 118.1° | 122.2° |
| O1 | C7 | C8 | N6 | 176.2° | 70.0° |
| O1 | C7 | C17 | H6 | 116.9° | 118.9° |
| O1 | C7 | C17 | O6 | 113.0° | 142.6° |
| O1 | C7 | C17 | C18 | 9.8° | 24.0° |
| C7 | O1 | C6 | C18 | 35.5° | 40.5° |
| C7 | O1 | C6 | H5 | 81.4° | 78.5° |
| O1 | C7 | C8 | H8 | 63.1° | 170.0° |
| O1 | C7 | C8 | H7 | 55.6° | 50.0° |
| O1 | C7 | C17 | H25 | 125.9° | 94.8° |
| C7 | C8 | N6 | H8 | 120.7° | 120.1° |
| C7 | C8 | N6 | H7 | 120.7° | 120.0° |
| C7 | C8 | N6 | C9 | 82.4° | 69.5° |
| C7 | C8 | N6 | C13 | 150.4° | 166.6° |
| C8 | C7 | C17 | H6 | 122.6° | 122.3° |
| C8 | C7 | C17 | O6 | 126.5° | 98.5° |
| C8 | C7 | C17 | C18 | 110.7° | 142.9° |
| C7 | C8 | H8 | H7 | 117.9° | 120.0° |
| C8 | C7 | C17 | H25 | 5.4° | 24.1° |
| C8 | N6 | C9 | C13 | 126.1° | 124.0° |
| C8 | N6 | C9 | C10 | 108.1° | 54.4° |
| C8 | N6 | C13 | C14 | 56.0° | 164.1° |
| N6 | C8 | C7 | C17 | 64.4° | 174.6° |
| N6 | C8 | H8 | H7 | 117.9° | 120.0° |
| C8 | N6 | C13 | H17 | 176.5° | 75.9° |
| C8 | N6 | C13 | H18 | 64.4° | 44.1° |
| N6 | C8 | C7 | H6 | 58.2° | 52.3° |
| C8 | N6 | C9 | H10 | 131.5° | 65.6° |
| C8 | N6 | C9 | H9 | 12.3° | 174.4° |
| N6 | C9 | C10 | H10 | 120.4° | 120.0° |
| N6 | C9 | C10 | H9 | 120.4° | 120.0° |
| N6 | C9 | C10 | C11 | 174.0° | 173.0° |
| C9 | N6 | C13 | C14 | 70.1° | 71.9° |
| C9 | N6 | C8 | H8 | 156.9° | 170.5° |
| C9 | N6 | C8 | H7 | 38.3° | 50.5° |
| C9 | N6 | C13 | H17 | 50.4° | 48.1° |
| C9 | N6 | C13 | H18 | 169.5° | 168.1° |
| N6 | C9 | H10 | H9 | 118.8° | 120.1° |
| N6 | C9 | C10 | H11 | 64.9° | 53.0° |
| N6 | C9 | C10 | H12 | 52.8° | 67.1° |
| C9 | C10 | C11 | H11 | 121.2° | 120.0° |
| C9 | C10 | C11 | H12 | 121.2° | 120.0° |
| C9 | C10 | C11 | N7 | 65.2° | 60.0° |
| C9 | C10 | C11 | C12 | 58.1° | 179.9° |
| C10 | C9 | N6 | C13 | 125.8° | 69.6° |
| C10 | C9 | H10 | H9 | 118.7° | 120.0° |
| C9 | C10 | H11 | H12 | 116.4° | 120.1° |
| C9 | C10 | C11 | H13 | 176.3° | 60.0° |
| C10 | C11 | N7 | C12 | 125.1° | 120.0° |
| C10 | C11 | N7 | H13 | 118.2° | 120.0° |
| C10 | C11 | C12 | H13 | 118.1° | 119.9° |
| C10 | C11 | C12 | O2 | 109.7° | 100.1° |
| C10 | C11 | C12 | O3 | 70.5° | 80.0° |
| C10 | C11 | N7 | H14 | 180.0° | 54.1° |
| C10 | C11 | N7 | H15 | 60.0° | 70.0° |
| C11 | C10 | C9 | H10 | 53.6° | 67.0° |
| C11 | C10 | C9 | H9 | 65.6° | 53.0° |
| C11 | C10 | H11 | H12 | 116.3° | 119.9° |
| N7 | C11 | C12 | H13 | 117.0° | 120.0° |
| N7 | C11 | C12 | O2 | 15.2° | 20.0° |
| N7 | C11 | C12 | O3 | 164.6° | 160.0° |
| C11 | N7 | H14 | H15 | 120.0° | 124.0° |
| N7 | C11 | C10 | H11 | 56.0° | 179.9° |
| N7 | C11 | C10 | H12 | 173.7° | 59.9° |
| C11 | C12 | O2 | O3 | 179.8° | 179.9° |
| C12 | C11 | N7 | H14 | 54.9° | 66.0° |
| C12 | C11 | N7 | H15 | 65.1° | 170.0° |
| C12 | C11 | C10 | H11 | 179.3° | 59.9° |
| C12 | C11 | C10 | H12 | 63.0° | 60.1° |
| C11 | C12 | O3 | H30 | 179.7° | 180.0° |
| O2 | C12 | C11 | H13 | 132.2° | 140.0° |
| O2 | C12 | O3 | H30 | 0.0° | 0.1° |
| O3 | C12 | C11 | H13 | 47.6° | 40.0° |
| N6 | C13 | C14 | H17 | 120.4° | 120.0° |
| N6 | C13 | C14 | H18 | 120.5° | 120.0° |
| N6 | C13 | C14 | C15 | 169.0° | 175.2° |
| C13 | N6 | C8 | H8 | 29.8° | 46.5° |
| C13 | N6 | C8 | H7 | 88.9° | 73.4° |
| N6 | C13 | H17 | H18 | 118.6° | 120.0° |
| N6 | C13 | C14 | H20 | 71.0° | 55.2° |
| N6 | C13 | C14 | H19 | 49.0° | 64.9° |
| C13 | N6 | C9 | H10 | 5.4° | 170.4° |
| C13 | N6 | C9 | H9 | 113.8° | 50.4° |
| C13 | C14 | C15 | H20 | 120.0° | 120.0° |
| C13 | C14 | C15 | H19 | 120.0° | 120.0° |
| C13 | C14 | C15 | N8 | 160.7° | 65.0° |
| C13 | C14 | C15 | C16 | 81.0° | 175.0° |
| C14 | C13 | H17 | H18 | 118.7° | 120.0° |
| C13 | C14 | H20 | H19 | 120.1° | 120.0° |
| C13 | C14 | C15 | H21 | 39.8° | 55.0° |
| C14 | C15 | N8 | C16 | 118.4° | 120.0° |
| C14 | C15 | N8 | H21 | 120.5° | 120.0° |
| C14 | C15 | C16 | H21 | 120.8° | 120.0° |
| C14 | C15 | C16 | O4 | 128.2° | 100.0° |
| C14 | C15 | C16 | O5 | 44.9° | 80.0° |
| C15 | C14 | C13 | H17 | 48.5° | 55.2° |
| C15 | C14 | C13 | H18 | 70.6° | 64.8° |
| C15 | C14 | H20 | H19 | 120.0° | 120.0° |
| C14 | C15 | N8 | H23 | 180.0° | 60.0° |
| C14 | C15 | N8 | H22 | 60.0° | 63.9° |
| N8 | C15 | C16 | H21 | 121.6° | 120.0° |
| N8 | C15 | C16 | O4 | 10.6° | 20.0° |
| N8 | C15 | C16 | O5 | 162.5° | 160.0° |
| N8 | C15 | C14 | H20 | 79.3° | 175.0° |
| N8 | C15 | C14 | H19 | 40.7° | 55.0° |
| C15 | N8 | H23 | H22 | 120.0° | 123.9° |
| C15 | C16 | O4 | O5 | 172.3° | 180.0° |
| C16 | C15 | C14 | H20 | 39.0° | 55.0° |
| C16 | C15 | C14 | H19 | 159.0° | 65.0° |
| C16 | C15 | N8 | H23 | 61.6° | 60.0° |
| C16 | C15 | N8 | H22 | 58.4° | 176.1° |
| C15 | C16 | O5 | H31 | 172.2° | 180.0° |
| O4 | C16 | C15 | H21 | 111.0° | 140.0° |
| O4 | C16 | O5 | H31 | 0.0° | 0.0° |
| O5 | C16 | C15 | H21 | 75.9° | 40.0° |
| C7 | C17 | O6 | C18 | 117.3° | 114.7° |
| C7 | C17 | O6 | H25 | 120.2° | 122.7° |
| C7 | C17 | C18 | H25 | 116.0° | 118.8° |
| C7 | C17 | C18 | O7 | 151.5° | 118.6° |
| C7 | C17 | C18 | C6 | 29.2° | 0.0° |
| C17 | C7 | C8 | H8 | 56.3° | 54.6° |
| C17 | C7 | C8 | H7 | 175.0° | 65.4° |
| C7 | C17 | C18 | H27 | 84.3° | 118.6° |
| C7 | C17 | O6 | H26 | 180.0° | 176.1° |
| O6 | C17 | C18 | H25 | 123.3° | 122.5° |
| O6 | C17 | C18 | O7 | 30.9° | 0.0° |
| O6 | C17 | C18 | C6 | 91.4° | 118.7° |
| O6 | C17 | C18 | H27 | 155.0° | 122.7° |
| O6 | C17 | C7 | H6 | 3.9° | 23.8° |
| C17 | C18 | O7 | C6 | 115.7° | 114.6° |
| C17 | C18 | O7 | H27 | 123.4° | 122.7° |
| C17 | C18 | C6 | H27 | 113.5° | 118.6° |
| C17 | C18 | C6 | H5 | 78.1° | 94.9° |
| C18 | C17 | C7 | H6 | 126.7° | 94.9° |
| C18 | C17 | O6 | H26 | 62.7° | 61.4° |
| C17 | C18 | O7 | H28 | 180.0° | 65.4° |
| O7 | C18 | C6 | H27 | 121.7° | 122.8° |
| O7 | C18 | C6 | H5 | 46.7° | 23.7° |
| O7 | C18 | C17 | H25 | 92.5° | 122.5° |
| C1 | C4 | C3 | N5 | 177.0° | 180.0° |
| C4 | C1 | N1 | H2 | 179.1° | 179.7° |
| C4 | C1 | N1 | H1 | 59.2° | 0.2° |
| C18 | C6 | N5 | C3 | 148.3° | 93.0° |
| C6 | C18 | C17 | H25 | 145.2° | 118.8° |
| C6 | C18 | O7 | H28 | 64.3° | 180.0° |
| C3 | N5 | C6 | H5 | 25.2° | 29.4° |
| C3 | N5 | C5 | H4 | 177.4° | 180.0° |
| H5 | C6 | C18 | H27 | 168.4° | 146.5° |
| H14 | N7 | C11 | H13 | 61.8° | 174.0° |
| H15 | N7 | C11 | H13 | 178.2° | 50.0° |
| H8 | C8 | C7 | H6 | 178.8° | 67.8° |
| H7 | C8 | C7 | H6 | 62.5° | 172.3° |
| H17 | C13 | C14 | H20 | 168.5° | 64.8° |
| H17 | C13 | C14 | H19 | 71.5° | 175.2° |
| H18 | C13 | C14 | H20 | 49.4° | 175.2° |
| H18 | C13 | C14 | H19 | 169.4° | 55.1° |
| H20 | C14 | C15 | H21 | 159.8° | 65.0° |
| H19 | C14 | C15 | H21 | 80.2° | 175.0° |
| H21 | C15 | N8 | H23 | 59.5° | 180.0° |
| H21 | C15 | N8 | H22 | 179.5° | 56.1° |
| H25 | C17 | C18 | H27 | 31.7° | 0.2° |
| H25 | C17 | C7 | H6 | 117.2° | 146.4° |
| H25 | C17 | O6 | H26 | 59.8° | 61.2° |
| H27 | C18 | O7 | H28 | 56.6° | 57.3° |
| H10 | C9 | C10 | H11 | 174.7° | 173.0° |
| H10 | C9 | C10 | H12 | 67.6° | 52.9° |
| H9 | C9 | C10 | H11 | 55.6° | 67.0° |
| H9 | C9 | C10 | H12 | 173.3° | 172.9° |
| H11 | C10 | C11 | H13 | 62.5° | 60.1° |
| H12 | C10 | C11 | H13 | 55.1° | 179.9° |
