6D0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N7 | doub | 1.32Å | 1.31Å | Aromatic |
| C14 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| N7 | C12 | sing | 1.33Å | 1.37Å | Aromatic |
| N6 | C13 | doub | 1.33Å | 1.38Å | Aromatic |
| C12 | N5 | sing | 1.38Å | 1.41Å | |
| C12 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| C13 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | N3 | sing | 1.37Å | 1.35Å | Aromatic |
| O3 | C8 | sing | 1.43Å | 1.39Å | |
| O4 | C9 | sing | 1.43Å | 1.42Å | |
| C11 | N4 | sing | 1.35Å | 1.36Å | Aromatic |
| C7 | N3 | sing | 1.47Å | 1.42Å | |
| C7 | C8 | sing | 1.55Å | 1.51Å | |
| C7 | O2 | sing | 1.44Å | 1.45Å | |
| N3 | C10 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.55Å | 1.46Å | |
| O2 | C6 | sing | 1.44Å | 1.45Å | |
| C9 | C6 | sing | 1.54Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.42Å | |
| N4 | C10 | doub | 1.30Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.44Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | O6 | sing | 1.34Å | 1.33Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | N2 | sing | 1.47Å | 1.55Å | |
| C4 | N2 | sing | 1.47Å | 1.52Å | |
| N2 | C15 | sing | 1.47Å | 1.44Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| O5 | C16 | doub | 1.21Å | 1.25Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | BR1 | sing | 1.97Å | 1.95Å | |
| 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 | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C14 | N6 | 122.3° | 122.5° |
| C14 | N7 | C12 | 121.1° | 121.2° |
| N7 | C14 | H21 | 118.8° | 118.7° |
| C14 | N6 | C13 | 120.8° | 120.7° |
| N6 | C14 | H21 | 118.9° | 118.8° |
| N7 | C12 | N5 | 119.4° | 120.8° |
| N7 | C12 | C11 | 119.5° | 118.4° |
| N6 | C13 | C11 | 119.4° | 119.0° |
| N6 | C13 | N3 | 134.0° | 135.0° |
| N5 | C12 | C11 | 121.1° | 120.8° |
| C12 | N5 | H19 | 109.5° | 120.0° |
| C12 | N5 | H20 | 109.5° | 120.0° |
| C12 | C11 | C13 | 116.9° | 118.2° |
| C12 | C11 | N4 | 136.3° | 134.7° |
| C11 | C13 | N3 | 106.6° | 106.0° |
| C13 | C11 | N4 | 106.8° | 107.1° |
| C13 | N3 | C7 | 125.2° | 126.3° |
| C13 | N3 | C10 | 108.1° | 107.5° |
| O3 | C8 | C7 | 112.4° | 110.9° |
| O3 | C8 | C9 | 110.2° | 110.8° |
| O3 | C8 | H14 | 111.1° | 110.9° |
| C8 | O3 | H15 | 109.5° | 114.0° |
| O4 | C9 | C8 | 111.8° | 110.5° |
| O4 | C9 | C6 | 108.9° | 110.7° |
| O4 | C9 | H16 | 111.3° | 110.6° |
| C9 | O4 | H17 | 109.5° | 114.0° |
| C11 | N4 | C10 | 108.3° | 109.4° |
| N3 | C7 | C8 | 113.2° | 110.6° |
| N3 | C7 | O2 | 109.4° | 110.6° |
| C7 | N3 | C10 | 126.7° | 126.3° |
| N3 | C7 | H13 | 110.0° | 110.5° |
| C8 | C7 | O2 | 105.7° | 103.5° |
| C7 | C8 | C9 | 103.5° | 102.1° |
| C8 | C7 | H13 | 108.8° | 110.6° |
| C7 | C8 | H14 | 109.4° | 110.9° |
| C7 | O2 | C6 | 106.8° | 107.0° |
| O2 | C7 | H13 | 109.6° | 110.9° |
| N3 | C10 | N4 | 110.2° | 110.0° |
| N3 | C10 | H18 | 124.9° | 125.0° |
| C8 | C9 | C6 | 104.3° | 104.0° |
| C9 | C8 | H14 | 110.1° | 110.9° |
| C8 | C9 | H16 | 110.7° | 110.5° |
| O2 | C6 | C9 | 107.4° | 107.4° |
| O2 | C6 | C5 | 112.4° | 109.9° |
| O2 | C6 | H12 | 109.3° | 109.9° |
| C9 | C6 | C5 | 110.1° | 109.9° |
| C9 | C6 | H12 | 108.2° | 109.8° |
| C6 | C9 | H16 | 109.7° | 110.5° |
| C1 | C2 | C3 | 109.7° | 109.5° |
| C1 | C2 | N1 | 110.4° | 109.5° |
| C2 | C1 | O1 | 118.0° | 120.0° |
| C2 | C1 | O6 | 118.8° | 120.0° |
| C1 | C2 | H1 | 107.9° | 109.5° |
| C3 | C2 | N1 | 111.7° | 109.5° |
| C2 | C3 | C4 | 118.6° | 109.5° |
| C3 | C2 | H1 | 107.8° | 109.5° |
| C2 | C3 | H5 | 107.2° | 109.4° |
| C2 | C3 | H6 | 107.2° | 109.4° |
| N1 | C2 | H1 | 109.3° | 109.4° |
| C2 | N1 | H2 | 109.5° | 111.0° |
| C2 | N1 | H3 | 109.5° | 110.9° |
| N4 | C10 | H18 | 124.9° | 125.0° |
| C6 | C5 | N2 | 114.8° | 109.5° |
| C6 | C5 | H10 | 108.1° | 109.5° |
| C6 | C5 | H11 | 108.1° | 109.5° |
| C5 | C6 | H12 | 109.4° | 109.9° |
| O1 | C1 | O6 | 123.2° | 120.0° |
| C1 | O6 | H26 | 109.5° | 117.0° |
| C3 | C4 | N2 | 115.6° | 109.5° |
| C4 | C3 | H5 | 107.1° | 109.5° |
| C4 | C3 | H6 | 107.1° | 109.5° |
| C3 | C4 | H7 | 107.9° | 109.5° |
| C3 | C4 | H8 | 107.9° | 109.5° |
| C5 | N2 | C4 | 114.6° | 111.0° |
| C5 | N2 | C15 | 109.3° | 111.0° |
| N2 | C5 | H10 | 108.1° | 109.5° |
| N2 | C5 | H11 | 108.1° | 109.5° |
| C4 | N2 | C15 | 108.9° | 111.0° |
| N2 | C4 | H7 | 107.9° | 109.5° |
| N2 | C4 | H8 | 107.9° | 109.4° |
| N2 | C15 | C16 | 117.0° | 109.4° |
| N2 | C15 | H22 | 107.6° | 109.5° |
| N2 | C15 | H23 | 107.6° | 109.5° |
| C15 | C16 | O5 | 121.0° | 120.0° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C16 | C15 | H22 | 107.5° | 109.5° |
| C16 | C15 | H23 | 107.5° | 109.5° |
| O5 | C16 | C17 | 118.6° | 120.0° |
| C16 | C17 | BR1 | 112.2° | 109.5° |
| C16 | C17 | H24 | 108.8° | 109.5° |
| C16 | C17 | H25 | 108.8° | 109.5° |
| BR1 | C17 | H24 | 108.8° | 109.4° |
| BR1 | C17 | H25 | 108.8° | 109.5° |
| H2 | N1 | H3 | 109.5° | 111.0° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H19 | N5 | H20 | 109.5° | 120.0° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C14 | N6 | H21 | 180.0° | 179.9° |
| N7 | C14 | N6 | C13 | 0.3° | 0.1° |
| C14 | N7 | C12 | N5 | 180.0° | 179.8° |
| C14 | N7 | C12 | C11 | 0.0° | 0.1° |
| N6 | C14 | N7 | C12 | 0.2° | 0.0° |
| C14 | N6 | C13 | C11 | 0.2° | 0.0° |
| C14 | N6 | C13 | N3 | 179.5° | 179.5° |
| N7 | C12 | N5 | C11 | 179.9° | 179.9° |
| N7 | C12 | C11 | C13 | 0.1° | 0.2° |
| N7 | C12 | C11 | N4 | 179.9° | 179.9° |
| N7 | C12 | N5 | H19 | 0.0° | 180.0° |
| N7 | C12 | N5 | H20 | 120.0° | 0.0° |
| C12 | N7 | C14 | H21 | 179.8° | 180.0° |
| N6 | C13 | C11 | C12 | 0.0° | 0.1° |
| N6 | C13 | C11 | N3 | 179.8° | 179.6° |
| N6 | C13 | C11 | N4 | 179.8° | 180.0° |
| N6 | C13 | N3 | C7 | 0.7° | 0.3° |
| N6 | C13 | N3 | C10 | 179.8° | 179.9° |
| C13 | N6 | C14 | H21 | 179.7° | 179.9° |
| N5 | C12 | C11 | C13 | 179.9° | 179.7° |
| N5 | C12 | C11 | N4 | 0.1° | 0.1° |
| C12 | N5 | H19 | H20 | 120.0° | 180.0° |
| C12 | C11 | C13 | N4 | 179.9° | 179.9° |
| C12 | C11 | C13 | N3 | 179.7° | 179.8° |
| C12 | C11 | N4 | C10 | 180.0° | 179.9° |
| C11 | C12 | N5 | H19 | 180.0° | 0.0° |
| C11 | C12 | N5 | H20 | 59.9° | 180.0° |
| C11 | C13 | N3 | C7 | 179.6° | 179.8° |
| C11 | C13 | N3 | C10 | 0.5° | 0.4° |
| C13 | C11 | N4 | C10 | 0.2° | 0.2° |
| N3 | C13 | C11 | N4 | 0.4° | 0.4° |
| C13 | N3 | C7 | C10 | 178.9° | 179.7° |
| C13 | N3 | C7 | C8 | 135.8° | 84.7° |
| C13 | N3 | C7 | O2 | 106.6° | 161.2° |
| C13 | N3 | C10 | N4 | 0.4° | 0.3° |
| C13 | N3 | C7 | H13 | 13.8° | 38.1° |
| C13 | N3 | C10 | H18 | 179.6° | 179.7° |
| O3 | C8 | C9 | O4 | 33.9° | 20.4° |
| O3 | C8 | C7 | N3 | 85.7° | 86.3° |
| O3 | C8 | C7 | C9 | 118.9° | 118.1° |
| O3 | C8 | C7 | H14 | 123.8° | 123.7° |
| O3 | C8 | C7 | O2 | 154.5° | 155.2° |
| O3 | C8 | C9 | H14 | 122.8° | 123.6° |
| O3 | C8 | C9 | C6 | 151.4° | 139.2° |
| O3 | C8 | C7 | H13 | 36.9° | 36.4° |
| O3 | C8 | C9 | H16 | 90.8° | 102.3° |
| O4 | C9 | C8 | C7 | 86.5° | 97.8° |
| O4 | C9 | C8 | C6 | 117.5° | 118.8° |
| O4 | C9 | C8 | H16 | 124.7° | 122.7° |
| O4 | C9 | C6 | O2 | 103.0° | 120.6° |
| O4 | C9 | C6 | H16 | 122.0° | 122.8° |
| O4 | C9 | C6 | C5 | 134.4° | 119.9° |
| O4 | C9 | C6 | H12 | 14.9° | 1.1° |
| O4 | C9 | C8 | H14 | 156.7° | 144.0° |
| C11 | N4 | C10 | N3 | 0.2° | 0.0° |
| C11 | N4 | C10 | H18 | 179.9° | 180.0° |
| N3 | C7 | C8 | O2 | 119.7° | 118.5° |
| N3 | C7 | C8 | H13 | 122.6° | 122.7° |
| N3 | C7 | O2 | H13 | 120.7° | 122.9° |
| N3 | C7 | C8 | C9 | 155.4° | 155.6° |
| N3 | C7 | O2 | C6 | 147.6° | 158.5° |
| C7 | N3 | C10 | N4 | 179.5° | 180.0° |
| N3 | C7 | C8 | H14 | 38.1° | 37.4° |
| C7 | N3 | C10 | H18 | 0.5° | 0.0° |
| C8 | C7 | O2 | H13 | 117.1° | 118.6° |
| C8 | C7 | N3 | C10 | 45.3° | 95.0° |
| C7 | C8 | C9 | H14 | 116.8° | 118.2° |
| C8 | C7 | O2 | C6 | 25.3° | 40.1° |
| C7 | C8 | C9 | C6 | 31.0° | 21.0° |
| C7 | C8 | O3 | H15 | 180.0° | 180.0° |
| C7 | C8 | C9 | H16 | 148.9° | 139.5° |
| O2 | C7 | N3 | C10 | 72.3° | 19.1° |
| O2 | C7 | C8 | C9 | 35.6° | 37.1° |
| C7 | O2 | C6 | C9 | 5.7° | 26.4° |
| C7 | O2 | C6 | C5 | 127.0° | 146.0° |
| C7 | O2 | C6 | H12 | 111.4° | 93.0° |
| O2 | C7 | C8 | H14 | 81.6° | 81.1° |
| N3 | C10 | N4 | H18 | 180.0° | 180.0° |
| C10 | N3 | C7 | H13 | 167.3° | 142.2° |
| C8 | C9 | C6 | O2 | 16.5° | 1.9° |
| C8 | C9 | C6 | H16 | 118.5° | 118.5° |
| C8 | C9 | C6 | C5 | 106.2° | 121.4° |
| C8 | C9 | C6 | H12 | 134.3° | 117.6° |
| C9 | C8 | C7 | H13 | 82.0° | 81.7° |
| C9 | C8 | O3 | H15 | 65.1° | 67.3° |
| C8 | C9 | O4 | H17 | 180.0° | 61.4° |
| O2 | C6 | C9 | C5 | 122.6° | 119.5° |
| O2 | C6 | C9 | H12 | 117.9° | 119.5° |
| O2 | C6 | C5 | H12 | 121.6° | 121.0° |
| O2 | C6 | C5 | N2 | 89.5° | 59.5° |
| O2 | C6 | C5 | H10 | 149.7° | 60.5° |
| O2 | C6 | C5 | H11 | 31.3° | 179.5° |
| C6 | O2 | C7 | H13 | 91.8° | 78.5° |
| O2 | C6 | C9 | H16 | 135.0° | 116.6° |
| C9 | C6 | C5 | H12 | 118.8° | 121.0° |
| C9 | C6 | C5 | N2 | 150.9° | 177.5° |
| C9 | C6 | C5 | H10 | 30.1° | 57.5° |
| C9 | C6 | C5 | H11 | 88.3° | 62.5° |
| C6 | C9 | C8 | H14 | 85.8° | 97.2° |
| C6 | C9 | O4 | H17 | 65.3° | 176.1° |
| C1 | C2 | C3 | N1 | 122.8° | 120.0° |
| C1 | C2 | C3 | H1 | 117.2° | 120.1° |
| C1 | C2 | N1 | H1 | 118.5° | 120.0° |
| C2 | C1 | O1 | O6 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 87.1° | 175.0° |
| C1 | C2 | N1 | H2 | 180.0° | 63.9° |
| C1 | C2 | N1 | H3 | 60.0° | 60.0° |
| C1 | C2 | C3 | H5 | 34.2° | 65.0° |
| C1 | C2 | C3 | H6 | 151.6° | 55.0° |
| C2 | C1 | O6 | H26 | 179.9° | 179.7° |
| C3 | C2 | N1 | H1 | 119.2° | 119.9° |
| C3 | C2 | C1 | O1 | 157.7° | 100.0° |
| C3 | C2 | C1 | O6 | 22.2° | 79.8° |
| C2 | C3 | C4 | H5 | 121.3° | 120.0° |
| C2 | C3 | C4 | H6 | 121.3° | 120.0° |
| C2 | C3 | C4 | N2 | 112.8° | 180.0° |
| C3 | C2 | N1 | H2 | 57.7° | 176.0° |
| C3 | C2 | N1 | H3 | 177.7° | 60.0° |
| C2 | C3 | H5 | H6 | 115.9° | 119.9° |
| C2 | C3 | C4 | H7 | 8.1° | 60.0° |
| C2 | C3 | C4 | H8 | 126.4° | 60.0° |
| N1 | C2 | C1 | O1 | 34.2° | 20.0° |
| N1 | C2 | C1 | O6 | 145.7° | 160.2° |
| N1 | C2 | C3 | C4 | 35.7° | 65.0° |
| C2 | N1 | H2 | H3 | 120.0° | 123.9° |
| N1 | C2 | C3 | H5 | 157.0° | 55.1° |
| N1 | C2 | C3 | H6 | 85.6° | 175.0° |
| C6 | C5 | N2 | H10 | 120.8° | 120.1° |
| C6 | C5 | N2 | H11 | 120.8° | 120.0° |
| C6 | C5 | N2 | C4 | 80.7° | 75.8° |
| C6 | C5 | N2 | C15 | 156.8° | 160.2° |
| C6 | C5 | H10 | H11 | 117.6° | 120.0° |
| C5 | C6 | C9 | H16 | 12.4° | 2.9° |
| O1 | C1 | C2 | H1 | 85.2° | 139.9° |
| O1 | C1 | O6 | H26 | 0.0° | 0.1° |
| O6 | C1 | C2 | H1 | 94.9° | 40.3° |
| C3 | C4 | N2 | C5 | 73.8° | 170.0° |
| C3 | C4 | N2 | H7 | 120.9° | 120.0° |
| C3 | C4 | N2 | H8 | 120.9° | 120.0° |
| C3 | C4 | N2 | C15 | 163.5° | 66.1° |
| C4 | C3 | C2 | H1 | 155.7° | 54.9° |
| C4 | C3 | H5 | H6 | 115.8° | 120.0° |
| C3 | C4 | H7 | H8 | 117.3° | 120.0° |
| C5 | N2 | C4 | C15 | 122.7° | 123.9° |
| C5 | N2 | C15 | C16 | 58.4° | 72.9° |
| C5 | N2 | C4 | H7 | 165.3° | 70.0° |
| C5 | N2 | C4 | H8 | 47.1° | 50.0° |
| N2 | C5 | H10 | H11 | 117.6° | 120.0° |
| N2 | C5 | C6 | H12 | 32.1° | 61.5° |
| C5 | N2 | C15 | H22 | 62.7° | 167.1° |
| C5 | N2 | C15 | H23 | 179.5° | 47.1° |
| C4 | N2 | C15 | C16 | 67.5° | 163.2° |
| N2 | C4 | C3 | H5 | 125.9° | 60.0° |
| N2 | C4 | C3 | H6 | 8.5° | 60.0° |
| N2 | C4 | H7 | H8 | 117.2° | 120.0° |
| C4 | N2 | C5 | H10 | 40.1° | 164.1° |
| C4 | N2 | C5 | H11 | 158.5° | 44.2° |
| C4 | N2 | C15 | H22 | 171.4° | 43.2° |
| C4 | N2 | C15 | H23 | 53.6° | 76.8° |
| N2 | C15 | C16 | H22 | 121.1° | 120.0° |
| N2 | C15 | C16 | H23 | 121.1° | 120.0° |
| N2 | C15 | C16 | O5 | 10.1° | 0.1° |
| N2 | C15 | C16 | C17 | 169.3° | 179.8° |
| C15 | N2 | C4 | H7 | 42.6° | 53.9° |
| C15 | N2 | C4 | H8 | 75.6° | 173.9° |
| C15 | N2 | C5 | H10 | 82.4° | 40.2° |
| C15 | N2 | C5 | H11 | 36.0° | 79.8° |
| N2 | C15 | H22 | H23 | 116.6° | 120.0° |
| C15 | C16 | O5 | C17 | 179.4° | 180.0° |
| C15 | C16 | C17 | BR1 | 156.0° | 180.0° |
| C16 | C15 | H22 | H23 | 116.6° | 120.0° |
| C15 | C16 | C17 | H24 | 83.5° | 60.0° |
| C15 | C16 | C17 | H25 | 35.6° | 59.9° |
| O5 | C16 | C17 | BR1 | 23.4° | 0.0° |
| O5 | C16 | C15 | H22 | 111.0° | 119.8° |
| O5 | C16 | C15 | H23 | 131.2° | 120.2° |
| O5 | C16 | C17 | H24 | 97.0° | 120.0° |
| O5 | C16 | C17 | H25 | 143.8° | 120.0° |
| C16 | C17 | BR1 | H24 | 120.4° | 120.0° |
| C16 | C17 | BR1 | H25 | 120.4° | 120.1° |
| C17 | C16 | C15 | H22 | 69.6° | 60.2° |
| C17 | C16 | C15 | H23 | 48.2° | 59.8° |
| C16 | C17 | H24 | H25 | 118.7° | 120.0° |
| BR1 | C17 | H24 | H25 | 118.7° | 120.0° |
| H1 | C2 | N1 | H2 | 61.5° | 56.1° |
| H1 | C2 | N1 | H3 | 58.5° | 179.9° |
| H1 | C2 | C3 | H5 | 82.9° | 175.0° |
| H1 | C2 | C3 | H6 | 34.4° | 65.1° |
| H5 | C3 | C4 | H7 | 113.2° | 180.0° |
| H5 | C3 | C4 | H8 | 5.0° | 60.0° |
| H6 | C3 | C4 | H7 | 129.4° | 60.0° |
| H6 | C3 | C4 | H8 | 112.3° | 180.0° |
| H10 | C5 | C6 | H12 | 88.7° | 178.4° |
| H11 | C5 | C6 | H12 | 152.9° | 58.5° |
| H12 | C6 | C9 | H16 | 107.1° | 123.9° |
| H13 | C7 | C8 | H14 | 160.7° | 160.1° |
| H14 | C8 | O3 | H15 | 57.1° | 56.3° |
| H14 | C8 | C9 | H16 | 32.1° | 21.3° |
| H16 | C9 | O4 | H17 | 55.7° | 61.2° |
