ROJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C14 | sing | 1.43Å | 1.41Å | |
| O12 | C15 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.55Å | 1.48Å | |
| C14 | C8 | sing | 1.54Å | 1.50Å | |
| C7 | C15 | sing | 1.55Å | 1.53Å | |
| C7 | O10 | sing | 1.44Å | 1.45Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | O10 | sing | 1.44Å | 1.41Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| O9 | C6 | sing | 1.43Å | 1.43Å | |
| O9 | P2 | sing | 1.61Å | 1.59Å | |
| O8 | P2 | doub | 1.48Å | 1.50Å | |
| N5 | C12 | doub | 1.32Å | 1.37Å | Aromatic |
| N5 | C13 | sing | 1.33Å | 1.35Å | Aromatic |
| P2 | O7 | sing | 1.61Å | 1.47Å | |
| P2 | O6 | sing | 1.61Å | 1.61Å | |
| N1 | C13 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C9 | sing | 1.36Å | 1.42Å | Aromatic |
| C12 | N4 | sing | 1.32Å | 1.36Å | Aromatic |
| C13 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| O6 | P1 | sing | 1.61Å | 1.61Å | |
| CL1 | C2 | sing | 1.80Å | 1.79Å | |
| N4 | C11 | doub | 1.33Å | 1.36Å | Aromatic |
| C10 | N2 | sing | 1.35Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | N3 | sing | 1.38Å | 1.39Å | |
| P1 | O4 | doub | 1.48Å | 1.49Å | |
| P1 | O3 | sing | 1.61Å | 1.58Å | |
| P1 | O5 | sing | 1.61Å | 1.47Å | |
| O3 | C5 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | C1 | sing | 1.55Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | O2 | sing | 1.44Å | 1.43Å | |
| O2 | C4 | sing | 1.44Å | 1.47Å | |
| C4 | C1 | sing | 1.54Å | 1.46Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| O7 | H15 | sing | 0.97Å | 0.95Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| O11 | H20 | sing | 0.97Å | 0.95Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| O12 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C14 | C15 | 109.6° | 110.5° |
| O11 | C14 | C8 | 110.5° | 110.5° |
| O11 | C14 | H19 | 111.8° | 110.6° |
| C14 | O11 | H20 | 109.5° | 114.0° |
| O12 | C15 | C14 | 111.1° | 110.5° |
| O12 | C15 | C7 | 114.5° | 110.5° |
| O12 | C15 | H21 | 109.3° | 110.6° |
| C15 | O12 | H22 | 109.5° | 114.0° |
| C15 | C14 | C8 | 103.5° | 104.1° |
| C14 | C15 | C7 | 105.1° | 104.1° |
| C15 | C14 | H19 | 110.8° | 110.5° |
| C14 | C15 | H21 | 108.6° | 110.5° |
| C14 | C8 | O10 | 109.0° | 104.8° |
| C14 | C8 | N1 | 115.6° | 110.4° |
| C14 | C8 | H7 | 107.5° | 110.5° |
| C8 | C14 | H19 | 110.4° | 110.5° |
| C15 | C7 | O10 | 103.2° | 104.8° |
| C15 | C7 | C6 | 118.5° | 110.4° |
| C15 | C7 | H16 | 109.1° | 110.3° |
| C7 | C15 | H21 | 107.9° | 110.5° |
| O10 | C7 | C6 | 106.4° | 110.4° |
| C7 | O10 | C8 | 109.2° | 105.2° |
| O10 | C7 | H16 | 110.2° | 110.4° |
| C7 | C6 | O9 | 105.3° | 109.5° |
| C7 | C6 | H5 | 110.5° | 109.5° |
| C7 | C6 | H6 | 110.5° | 109.5° |
| C6 | C7 | H16 | 109.1° | 110.4° |
| O10 | C8 | N1 | 107.8° | 110.3° |
| O10 | C8 | H7 | 108.7° | 110.4° |
| C8 | N1 | C13 | 125.8° | 126.3° |
| C8 | N1 | C9 | 128.2° | 126.3° |
| N1 | C8 | H7 | 108.1° | 110.3° |
| C6 | O9 | P2 | 114.2° | 123.0° |
| O9 | C6 | H5 | 110.5° | 109.5° |
| O9 | C6 | H6 | 110.5° | 109.5° |
| O9 | P2 | O8 | 104.9° | 109.5° |
| O9 | P2 | O7 | 111.3° | 109.5° |
| O9 | P2 | O6 | 99.7° | 109.5° |
| O8 | P2 | O7 | 119.1° | 109.4° |
| O8 | P2 | O6 | 109.4° | 109.5° |
| C12 | N5 | C13 | 111.3° | 120.6° |
| N5 | C12 | N4 | 125.5° | 122.5° |
| N5 | C12 | H18 | 117.2° | 118.8° |
| N5 | C13 | N1 | 126.8° | 134.9° |
| N5 | C13 | C10 | 127.5° | 119.1° |
| O7 | P2 | O6 | 110.5° | 109.5° |
| P2 | O7 | H15 | 109.5° | 113.9° |
| P2 | O6 | P1 | 132.1° | 134.0° |
| C13 | N1 | C9 | 105.9° | 107.4° |
| N1 | C13 | C10 | 105.6° | 106.0° |
| N1 | C9 | N2 | 112.4° | 110.0° |
| N1 | C9 | H17 | 123.8° | 125.0° |
| C12 | N4 | C11 | 121.0° | 121.2° |
| N4 | C12 | H18 | 117.2° | 118.7° |
| C13 | C10 | N2 | 110.9° | 107.2° |
| C13 | C10 | C11 | 117.1° | 118.2° |
| C9 | N2 | C10 | 105.1° | 109.4° |
| N2 | C9 | H17 | 123.8° | 125.0° |
| O6 | P1 | O4 | 110.8° | 109.5° |
| O6 | P1 | O3 | 98.8° | 109.5° |
| O6 | P1 | O5 | 109.2° | 109.5° |
| CL1 | C2 | C3 | 104.6° | 110.5° |
| CL1 | C2 | C1 | 111.1° | 110.5° |
| CL1 | C2 | H1 | 109.8° | 110.6° |
| N4 | C11 | C10 | 117.4° | 118.4° |
| N4 | C11 | N3 | 117.8° | 120.8° |
| N2 | C10 | C11 | 132.0° | 134.7° |
| C10 | C11 | N3 | 124.8° | 120.8° |
| C11 | N3 | H8 | 109.5° | 120.0° |
| C11 | N3 | H9 | 109.5° | 120.0° |
| O4 | P1 | O3 | 105.0° | 109.4° |
| O4 | P1 | O5 | 120.2° | 109.5° |
| O3 | P1 | O5 | 110.7° | 109.4° |
| P1 | O3 | C5 | 118.7° | 123.0° |
| P1 | O5 | H14 | 109.5° | 114.0° |
| O3 | C5 | C4 | 107.7° | 109.5° |
| O3 | C5 | H3 | 109.9° | 109.5° |
| O3 | C5 | H4 | 109.9° | 109.5° |
| C3 | C2 | C1 | 103.5° | 104.0° |
| C2 | C3 | O2 | 106.2° | 104.8° |
| C3 | C2 | H1 | 113.5° | 110.5° |
| C2 | C3 | H12 | 110.3° | 110.3° |
| C2 | C3 | H13 | 110.3° | 110.4° |
| C2 | C1 | C4 | 105.7° | 104.1° |
| C2 | C1 | O1 | 111.0° | 110.5° |
| C1 | C2 | H1 | 113.8° | 110.5° |
| C2 | C1 | H11 | 108.2° | 110.5° |
| C5 | C4 | O2 | 111.7° | 110.4° |
| C5 | C4 | C1 | 111.7° | 110.4° |
| C5 | C4 | H2 | 107.7° | 110.3° |
| C4 | C5 | H3 | 109.9° | 109.5° |
| C4 | C5 | H4 | 109.9° | 109.5° |
| C3 | O2 | C4 | 106.5° | 105.2° |
| O2 | C3 | H12 | 110.3° | 110.4° |
| O2 | C3 | H13 | 110.3° | 110.4° |
| O2 | C4 | C1 | 109.4° | 104.8° |
| O2 | C4 | H2 | 108.1° | 110.4° |
| C4 | C1 | O1 | 113.5° | 110.5° |
| C1 | C4 | H2 | 108.1° | 110.4° |
| C4 | C1 | H11 | 108.7° | 110.5° |
| C1 | O1 | H10 | 109.5° | 114.0° |
| O1 | C1 | H11 | 109.6° | 110.6° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | N3 | H9 | 109.5° | 120.0° |
| H12 | C3 | H13 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C14 | C15 | O12 | 33.9° | 0.0° |
| O11 | C14 | C15 | C8 | 117.8° | 118.6° |
| O11 | C14 | C15 | H19 | 123.8° | 122.7° |
| O11 | C14 | C8 | H19 | 124.2° | 122.7° |
| O11 | C14 | C15 | C7 | 90.5° | 118.7° |
| O11 | C14 | C8 | O10 | 104.0° | 142.6° |
| O11 | C14 | C8 | N1 | 134.4° | 98.6° |
| O11 | C14 | C8 | H7 | 13.7° | 23.7° |
| O11 | C14 | C15 | H21 | 154.2° | 122.7° |
| O12 | C15 | C14 | C7 | 124.4° | 118.7° |
| O12 | C15 | C14 | H21 | 120.3° | 122.7° |
| O12 | C15 | C14 | C8 | 151.7° | 118.6° |
| O12 | C15 | C7 | H21 | 122.0° | 122.7° |
| O12 | C15 | C7 | O10 | 154.1° | 142.6° |
| O12 | C15 | C7 | C6 | 88.8° | 98.5° |
| O12 | C15 | C7 | H16 | 36.9° | 23.8° |
| O12 | C15 | C14 | H19 | 89.9° | 122.7° |
| C15 | C14 | C8 | H19 | 118.6° | 118.6° |
| C14 | C15 | C7 | H21 | 115.8° | 118.6° |
| C14 | C15 | C7 | O10 | 31.8° | 24.0° |
| C14 | C15 | C7 | C6 | 149.0° | 142.8° |
| C15 | C14 | C8 | O10 | 13.2° | 24.0° |
| C15 | C14 | C8 | N1 | 108.4° | 142.8° |
| C15 | C14 | C8 | H7 | 130.9° | 94.9° |
| C14 | C15 | C7 | H16 | 85.3° | 94.9° |
| C15 | C14 | O11 | H20 | 180.0° | 61.5° |
| C14 | C15 | O12 | H22 | 180.0° | 65.3° |
| C8 | C14 | C15 | C7 | 27.3° | 0.0° |
| C14 | C8 | O10 | C7 | 7.2° | 40.5° |
| C14 | C8 | O10 | N1 | 126.2° | 118.8° |
| C14 | C8 | O10 | H7 | 116.9° | 119.0° |
| C14 | C8 | N1 | H7 | 120.4° | 122.4° |
| C14 | C8 | N1 | C13 | 151.1° | 88.1° |
| C14 | C8 | N1 | C9 | 31.9° | 91.5° |
| C8 | C14 | O11 | H20 | 66.6° | 176.1° |
| C8 | C14 | C15 | H21 | 88.0° | 118.7° |
| C15 | C7 | O10 | C6 | 125.5° | 118.9° |
| C15 | C7 | O10 | H16 | 116.4° | 118.8° |
| C15 | C7 | C6 | H16 | 125.7° | 122.3° |
| C15 | C7 | O10 | C8 | 23.9° | 40.5° |
| C15 | C7 | C6 | O9 | 58.2° | 175.0° |
| C15 | C7 | C6 | H5 | 61.2° | 65.0° |
| C15 | C7 | C6 | H6 | 177.5° | 55.0° |
| C7 | C15 | C14 | H19 | 145.7° | 118.6° |
| C7 | C15 | O12 | H22 | 61.1° | 180.0° |
| O10 | C7 | C6 | H16 | 118.8° | 122.3° |
| C7 | O10 | C8 | N1 | 133.4° | 159.4° |
| O10 | C7 | C6 | O9 | 173.7° | 69.6° |
| O10 | C7 | C6 | H5 | 54.3° | 50.4° |
| O10 | C7 | C6 | H6 | 67.0° | 170.4° |
| C7 | O10 | C8 | H7 | 109.7° | 78.5° |
| O10 | C7 | C15 | H21 | 84.0° | 94.7° |
| C6 | C7 | O10 | C8 | 149.3° | 159.3° |
| C7 | C6 | O9 | H5 | 119.3° | 120.0° |
| C7 | C6 | O9 | H6 | 119.3° | 120.0° |
| C7 | C6 | O9 | P2 | 161.6° | 180.0° |
| C7 | C6 | H5 | H6 | 121.9° | 120.0° |
| C6 | C7 | C15 | H21 | 33.2° | 24.2° |
| O10 | C8 | N1 | H7 | 117.3° | 122.2° |
| O10 | C8 | N1 | C13 | 86.6° | 156.5° |
| O10 | C8 | N1 | C9 | 90.4° | 23.9° |
| C8 | O10 | C7 | H16 | 92.5° | 78.3° |
| O10 | C8 | C14 | H19 | 131.8° | 94.6° |
| C8 | N1 | C13 | N5 | 4.2° | 0.8° |
| C8 | N1 | C13 | C9 | 177.6° | 179.7° |
| C8 | N1 | C13 | C10 | 179.1° | 179.9° |
| C8 | N1 | C9 | N2 | 177.2° | 180.0° |
| C8 | N1 | C9 | H17 | 2.8° | 0.1° |
| N1 | C8 | C14 | H19 | 10.2° | 24.2° |
| C6 | O9 | P2 | O8 | 175.8° | 55.0° |
| C6 | O9 | P2 | O7 | 45.8° | 65.0° |
| C6 | O9 | P2 | O6 | 70.9° | 175.0° |
| O9 | C6 | H5 | H6 | 122.0° | 120.0° |
| O9 | C6 | C7 | H16 | 67.5° | 52.7° |
| O9 | P2 | O8 | O7 | 125.4° | 120.0° |
| O9 | P2 | O8 | O6 | 106.2° | 120.0° |
| O9 | P2 | O7 | O6 | 109.9° | 120.0° |
| O9 | P2 | O6 | P1 | 159.7° | 160.0° |
| P2 | O9 | C6 | H5 | 42.3° | 60.0° |
| P2 | O9 | C6 | H6 | 79.0° | 60.0° |
| O9 | P2 | O7 | H15 | 122.2° | 60.0° |
| O8 | P2 | O7 | O6 | 127.9° | 120.0° |
| O8 | P2 | O6 | P1 | 90.6° | 40.0° |
| O8 | P2 | O7 | H15 | 0.0° | 180.0° |
| C12 | N5 | C13 | N1 | 179.6° | 179.6° |
| N5 | C12 | N4 | H18 | 180.0° | 179.9° |
| C12 | N5 | C13 | C10 | 4.4° | 0.5° |
| N5 | C12 | N4 | C11 | 5.3° | 0.1° |
| N5 | C13 | N1 | C10 | 176.7° | 179.2° |
| N5 | C13 | N1 | C9 | 178.2° | 179.6° |
| C13 | N5 | C12 | N4 | 5.4° | 0.3° |
| N5 | C13 | C10 | N2 | 179.5° | 179.7° |
| N5 | C13 | C10 | C11 | 3.3° | 0.5° |
| C13 | N5 | C12 | H18 | 174.7° | 179.8° |
| O7 | P2 | O6 | P1 | 42.5° | 80.0° |
| P2 | O6 | P1 | O4 | 60.1° | 45.0° |
| P2 | O6 | P1 | O3 | 169.9° | 165.0° |
| P2 | O6 | P1 | O5 | 74.4° | 75.0° |
| O6 | P2 | O7 | H15 | 127.9° | 60.0° |
| C13 | N1 | C9 | N2 | 0.2° | 0.3° |
| N1 | C13 | C10 | N2 | 2.8° | 0.4° |
| N1 | C13 | C10 | C11 | 180.0° | 179.9° |
| C13 | N1 | C8 | H7 | 30.7° | 34.2° |
| C13 | N1 | C9 | H17 | 179.7° | 179.8° |
| C9 | N1 | C13 | C10 | 1.5° | 0.4° |
| N1 | C9 | N2 | H17 | 180.0° | 179.9° |
| N1 | C9 | N2 | C10 | 1.9° | 0.1° |
| C9 | N1 | C8 | H7 | 152.3° | 146.1° |
| C12 | N4 | C11 | C10 | 3.5° | 0.1° |
| C12 | N4 | C11 | N3 | 178.3° | 180.0° |
| C13 | C10 | N2 | C9 | 2.9° | 0.2° |
| C13 | C10 | C11 | N4 | 2.4° | 0.3° |
| C13 | C10 | N2 | C11 | 176.7° | 179.7° |
| C13 | C10 | C11 | N3 | 179.5° | 179.8° |
| C9 | N2 | C10 | C11 | 179.6° | 179.9° |
| O6 | P1 | O4 | O3 | 105.8° | 120.0° |
| O6 | P1 | O4 | O5 | 128.8° | 120.0° |
| O6 | P1 | O3 | O5 | 114.5° | 120.0° |
| O6 | P1 | O3 | C5 | 74.1° | 175.0° |
| O6 | P1 | O5 | H14 | 129.5° | 60.0° |
| CL1 | C2 | C3 | C1 | 116.5° | 118.6° |
| CL1 | C2 | C3 | H1 | 119.7° | 122.8° |
| CL1 | C2 | C1 | H1 | 124.6° | 122.7° |
| CL1 | C2 | C3 | O2 | 86.4° | 94.6° |
| CL1 | C2 | C1 | C4 | 90.5° | 118.6° |
| CL1 | C2 | C1 | O1 | 146.1° | 122.7° |
| CL1 | C2 | C1 | H11 | 25.8° | 0.0° |
| CL1 | C2 | C3 | H12 | 33.0° | 24.2° |
| CL1 | C2 | C3 | H13 | 154.1° | 146.6° |
| N4 | C11 | C10 | N2 | 179.0° | 180.0° |
| N4 | C11 | C10 | N3 | 178.1° | 179.9° |
| N4 | C11 | N3 | H8 | 0.0° | 179.9° |
| N4 | C11 | N3 | H9 | 120.0° | 0.1° |
| C11 | N4 | C12 | H18 | 174.7° | 180.0° |
| N2 | C10 | C11 | N3 | 2.9° | 0.1° |
| C10 | N2 | C9 | H17 | 178.0° | 180.0° |
| C10 | C11 | N3 | H8 | 178.1° | 0.0° |
| C10 | C11 | N3 | H9 | 61.9° | 180.0° |
| C11 | N3 | H8 | H9 | 120.0° | 180.0° |
| O4 | P1 | O3 | O5 | 131.1° | 120.0° |
| O4 | P1 | O3 | C5 | 171.5° | 55.0° |
| O4 | P1 | O5 | H14 | 0.0° | 179.9° |
| P1 | O3 | C5 | C4 | 161.7° | 180.0° |
| P1 | O3 | C5 | H3 | 78.6° | 60.0° |
| P1 | O3 | C5 | H4 | 41.9° | 60.0° |
| O3 | P1 | O5 | H14 | 122.7° | 60.0° |
| O5 | P1 | O3 | C5 | 40.4° | 65.0° |
| O3 | C5 | C4 | H3 | 119.7° | 120.1° |
| O3 | C5 | C4 | H4 | 119.8° | 120.1° |
| O3 | C5 | C4 | O2 | 51.2° | 69.5° |
| O3 | C5 | C4 | C1 | 174.1° | 175.0° |
| O3 | C5 | C4 | H2 | 67.3° | 52.7° |
| O3 | C5 | H3 | H4 | 120.8° | 120.0° |
| C3 | C2 | C1 | H1 | 123.6° | 118.6° |
| C2 | C3 | O2 | H12 | 119.5° | 118.8° |
| C2 | C3 | O2 | H13 | 119.5° | 118.8° |
| C2 | C3 | O2 | C4 | 26.9° | 40.5° |
| C3 | C2 | C1 | C4 | 21.3° | 0.0° |
| C3 | C2 | C1 | O1 | 102.2° | 118.6° |
| C3 | C2 | C1 | H11 | 137.6° | 118.6° |
| C2 | C3 | H12 | H13 | 121.5° | 122.3° |
| C2 | C1 | C4 | C5 | 118.5° | 142.9° |
| C1 | C2 | C3 | O2 | 30.0° | 24.0° |
| C2 | C1 | C4 | O2 | 5.7° | 24.0° |
| C2 | C1 | C4 | O1 | 121.9° | 118.6° |
| C2 | C1 | C4 | H11 | 115.9° | 118.6° |
| C2 | C1 | O1 | H11 | 119.4° | 122.7° |
| C2 | C1 | C4 | H2 | 123.2° | 94.9° |
| C2 | C1 | O1 | H10 | 180.0° | 61.4° |
| C1 | C2 | C3 | H12 | 149.5° | 142.8° |
| C1 | C2 | C3 | H13 | 89.5° | 94.8° |
| C5 | C4 | O2 | C3 | 137.6° | 159.4° |
| C5 | C4 | O2 | C1 | 124.2° | 118.9° |
| C5 | C4 | O2 | H2 | 118.3° | 122.2° |
| C5 | C4 | C1 | H2 | 118.3° | 122.2° |
| C5 | C4 | C1 | O1 | 119.6° | 98.5° |
| C4 | C5 | H3 | H4 | 120.8° | 119.9° |
| C5 | C4 | C1 | H11 | 2.6° | 24.3° |
| C3 | O2 | C4 | C1 | 13.4° | 40.5° |
| O2 | C3 | C2 | H1 | 153.8° | 142.6° |
| C3 | O2 | C4 | H2 | 104.1° | 78.4° |
| O2 | C3 | H12 | H13 | 121.5° | 122.3° |
| O2 | C4 | C1 | H2 | 117.5° | 118.9° |
| O2 | C4 | C1 | O1 | 116.1° | 142.6° |
| O2 | C4 | C5 | H3 | 68.5° | 170.4° |
| O2 | C4 | C5 | H4 | 171.0° | 50.5° |
| O2 | C4 | C1 | H11 | 121.6° | 94.6° |
| C4 | O2 | C3 | H12 | 146.4° | 159.3° |
| C4 | O2 | C3 | H13 | 92.6° | 78.3° |
| C4 | C1 | O1 | H11 | 121.7° | 122.7° |
| C4 | C1 | C2 | H1 | 144.9° | 118.7° |
| C1 | C4 | C5 | H3 | 54.4° | 54.9° |
| C1 | C4 | C5 | H4 | 66.1° | 64.9° |
| C4 | C1 | O1 | H10 | 61.1° | 176.0° |
| O1 | C1 | C2 | H1 | 21.4° | 0.0° |
| O1 | C1 | C4 | H2 | 1.3° | 23.8° |
| H1 | C2 | C1 | H11 | 98.8° | 122.7° |
| H1 | C2 | C3 | H12 | 86.7° | 98.6° |
| H1 | C2 | C3 | H13 | 34.4° | 23.8° |
| H2 | C4 | C5 | H3 | 173.0° | 67.3° |
| H2 | C4 | C5 | H4 | 52.5° | 172.8° |
| H2 | C4 | C1 | H11 | 120.9° | 146.5° |
| H5 | C6 | C7 | H16 | 173.2° | 172.7° |
| H6 | C6 | C7 | H16 | 51.9° | 67.3° |
| H7 | C8 | C14 | H19 | 110.5° | 146.5° |
| H10 | O1 | C1 | H11 | 60.6° | 61.2° |
| H16 | C7 | C15 | H21 | 158.9° | 146.5° |
| H19 | C14 | O11 | H20 | 56.8° | 61.2° |
| H19 | C14 | C15 | H21 | 30.3° | 0.0° |
| H21 | C15 | O12 | H22 | 60.1° | 57.3° |
