3UA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C13 | sing | 1.43Å | 1.41Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C13 | C | sing | 1.53Å | 1.52Å | |
| C14 | O16 | sing | 1.43Å | 1.43Å | |
| F7 | C12 | sing | 1.40Å | 1.31Å | |
| O11 | C9 | doub | 1.22Å | 1.21Å | |
| C | C12 | sing | 1.54Å | 1.53Å | |
| C | O | sing | 1.44Å | 1.47Å | |
| C12 | F57 | sing | 1.40Å | 1.33Å | |
| C12 | C11 | sing | 1.55Å | 1.55Å | |
| C9 | C8 | sing | 1.42Å | 1.35Å | |
| C9 | N1 | sing | 1.35Å | 1.29Å | |
| F58 | C11 | sing | 1.40Å | 1.32Å | |
| C8 | C7 | doub | 1.35Å | 1.35Å | |
| O | C1 | sing | 1.44Å | 1.45Å | |
| C11 | F6 | sing | 1.40Å | 1.32Å | |
| C11 | C1 | sing | 1.55Å | 1.53Å | |
| N1 | C10 | sing | 1.35Å | 1.30Å | |
| O6 | P1 | doub | 1.48Å | 1.40Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C7 | N | sing | 1.37Å | 1.31Å | |
| C10 | N | sing | 1.35Å | 1.31Å | |
| C10 | O12 | doub | 1.22Å | 1.21Å | |
| O1 | P | sing | 1.61Å | 1.49Å | |
| P1 | O5 | sing | 1.61Å | 1.54Å | |
| P1 | O7 | sing | 1.61Å | 1.53Å | |
| P1 | O4 | sing | 1.61Å | 1.56Å | |
| N | C4 | sing | 1.47Å | 1.45Å | |
| O7 | C2 | sing | 1.43Å | 1.40Å | |
| O4 | P | sing | 1.61Å | 1.55Å | |
| P | O2 | doub | 1.48Å | 1.54Å | |
| P | O3 | sing | 1.61Å | 1.40Å | |
| C4 | O8 | sing | 1.44Å | 1.40Å | |
| C4 | C5 | sing | 1.54Å | 1.50Å | |
| O8 | C3 | sing | 1.44Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C6 | sing | 1.55Å | 1.50Å | |
| C5 | C6 | sing | 1.54Å | 1.48Å | |
| C5 | O9 | sing | 1.43Å | 1.41Å | |
| C6 | O10 | sing | 1.43Å | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| O15 | H4 | sing | 0.97Å | 0.95Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| O16 | H7 | sing | 0.97Å | 0.95Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| O10 | H14 | sing | 0.97Å | 0.95Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| O9 | H16 | sing | 0.97Å | 0.95Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C13 | C14 | 107.8° | 109.5° |
| O15 | C13 | C | 111.1° | 109.4° |
| O15 | C13 | H3 | 108.6° | 109.5° |
| C13 | O15 | H4 | 109.5° | 114.0° |
| C14 | C13 | C | 114.2° | 109.5° |
| C13 | C14 | O16 | 107.4° | 109.4° |
| C14 | C13 | H3 | 107.7° | 109.5° |
| C13 | C14 | H5 | 110.0° | 109.4° |
| C13 | C14 | H6 | 110.0° | 109.5° |
| C13 | C | C12 | 117.1° | 109.9° |
| C13 | C | O | 114.3° | 109.9° |
| C13 | C | H2 | 105.9° | 110.0° |
| C | C13 | H3 | 107.3° | 109.5° |
| O16 | C14 | H5 | 110.0° | 109.5° |
| O16 | C14 | H6 | 110.0° | 109.5° |
| C14 | O16 | H7 | 109.5° | 114.0° |
| F7 | C12 | C | 118.3° | 110.6° |
| F7 | C12 | F57 | 108.2° | 110.4° |
| F7 | C12 | C11 | 113.6° | 110.5° |
| O11 | C9 | C8 | 121.0° | 120.3° |
| O11 | C9 | N1 | 119.0° | 120.3° |
| C12 | C | O | 106.5° | 107.3° |
| C | C12 | F57 | 104.4° | 110.4° |
| C | C12 | C11 | 102.8° | 104.2° |
| C12 | C | H2 | 105.8° | 110.0° |
| C | O | C1 | 107.8° | 107.0° |
| O | C | H2 | 106.5° | 109.8° |
| F57 | C12 | C11 | 108.9° | 110.5° |
| C12 | C11 | F58 | 112.2° | 110.9° |
| C12 | C11 | F6 | 111.4° | 110.9° |
| C12 | C11 | C1 | 103.4° | 102.2° |
| C8 | C9 | N1 | 120.0° | 119.4° |
| C9 | C8 | C7 | 117.6° | 119.1° |
| C9 | C8 | H19 | 121.2° | 120.5° |
| C9 | N1 | C10 | 120.7° | 120.3° |
| C9 | N1 | H20 | 119.7° | 119.9° |
| F58 | C11 | F6 | 110.7° | 110.8° |
| F58 | C11 | C1 | 111.4° | 110.9° |
| C8 | C7 | N | 121.5° | 119.7° |
| C8 | C7 | H18 | 119.2° | 120.1° |
| C7 | C8 | H19 | 121.2° | 120.4° |
| O | C1 | C11 | 100.8° | 103.5° |
| O | C1 | O1 | 109.3° | 110.6° |
| O | C1 | H1 | 112.2° | 110.7° |
| F6 | C11 | C1 | 107.4° | 110.9° |
| C11 | C1 | O1 | 110.5° | 110.6° |
| C11 | C1 | H1 | 110.8° | 110.7° |
| N1 | C10 | N | 122.4° | 120.9° |
| N1 | C10 | O12 | 116.3° | 119.5° |
| C10 | N1 | H20 | 119.6° | 119.9° |
| O6 | P1 | O5 | 111.7° | 109.5° |
| O6 | P1 | O7 | 107.2° | 109.4° |
| O6 | P1 | O4 | 112.9° | 109.5° |
| C1 | O1 | P | 119.7° | 123.0° |
| O1 | C1 | H1 | 112.7° | 110.6° |
| C7 | N | C10 | 117.9° | 120.6° |
| C7 | N | C4 | 122.8° | 119.7° |
| N | C7 | H18 | 119.3° | 120.2° |
| N | C10 | O12 | 121.3° | 119.5° |
| C10 | N | C4 | 119.3° | 119.7° |
| O1 | P | O4 | 101.2° | 109.5° |
| O1 | P | O2 | 110.0° | 109.5° |
| O1 | P | O3 | 108.0° | 109.5° |
| O5 | P1 | O7 | 113.2° | 109.5° |
| O5 | P1 | O4 | 113.7° | 109.5° |
| P1 | O5 | H9 | 109.5° | 114.0° |
| O7 | P1 | O4 | 97.2° | 109.5° |
| P1 | O7 | C2 | 125.6° | 123.0° |
| P1 | O4 | P | 122.4° | 134.0° |
| N | C4 | O8 | 113.7° | 110.3° |
| N | C4 | C5 | 110.8° | 110.4° |
| N | C4 | H17 | 108.6° | 110.4° |
| O7 | C2 | C3 | 112.2° | 109.5° |
| O7 | C2 | H10 | 108.8° | 109.4° |
| O7 | C2 | H11 | 108.8° | 109.5° |
| O4 | P | O2 | 111.3° | 109.4° |
| O4 | P | O3 | 112.0° | 109.5° |
| O2 | P | O3 | 113.6° | 109.5° |
| P | O3 | H8 | 109.5° | 114.0° |
| O8 | C4 | C5 | 106.3° | 104.8° |
| C4 | O8 | C3 | 110.7° | 105.3° |
| O8 | C4 | H17 | 109.2° | 110.4° |
| C4 | C5 | C6 | 102.9° | 104.1° |
| C4 | C5 | O9 | 112.0° | 110.5° |
| C4 | C5 | H15 | 110.0° | 110.6° |
| C5 | C4 | H17 | 107.9° | 110.4° |
| O8 | C3 | C2 | 111.6° | 110.4° |
| O8 | C3 | C6 | 105.0° | 104.8° |
| O8 | C3 | H12 | 109.8° | 110.5° |
| C2 | C3 | C6 | 113.5° | 110.4° |
| C3 | C2 | H10 | 108.8° | 109.5° |
| C3 | C2 | H11 | 108.8° | 109.5° |
| C2 | C3 | H12 | 108.3° | 110.4° |
| C3 | C6 | C5 | 102.8° | 104.0° |
| C3 | C6 | O10 | 111.8° | 110.5° |
| C6 | C3 | H12 | 108.6° | 110.3° |
| C3 | C6 | H13 | 109.5° | 110.5° |
| C6 | C5 | O9 | 110.2° | 110.5° |
| C5 | C6 | O10 | 111.7° | 110.5° |
| C5 | C6 | H13 | 109.7° | 110.6° |
| C6 | C5 | H15 | 110.3° | 110.5° |
| O9 | C5 | H15 | 111.2° | 110.4° |
| C5 | O9 | H16 | 109.5° | 114.0° |
| O10 | C6 | H13 | 110.9° | 110.5° |
| C6 | O10 | H14 | 109.5° | 113.9° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C13 | C14 | C | 124.0° | 120.0° |
| O15 | C13 | C14 | H3 | 117.0° | 120.0° |
| O15 | C13 | C | H3 | 118.6° | 120.0° |
| O15 | C13 | C14 | O16 | 145.4° | 65.0° |
| O15 | C13 | C | C12 | 5.4° | 55.0° |
| O15 | C13 | C | O | 120.2° | 62.8° |
| O15 | C13 | C | H2 | 122.9° | 176.1° |
| O15 | C13 | C14 | H5 | 94.9° | 175.0° |
| O15 | C13 | C14 | H6 | 25.8° | 54.9° |
| C14 | C13 | C | H3 | 119.2° | 120.0° |
| C13 | C14 | O16 | H5 | 119.7° | 119.9° |
| C13 | C14 | O16 | H6 | 119.7° | 120.0° |
| C14 | C13 | C | C12 | 127.6° | 175.0° |
| C14 | C13 | C | O | 2.0° | 57.2° |
| C14 | C13 | C | H2 | 114.9° | 63.9° |
| C14 | C13 | O15 | H4 | 180.0° | 59.9° |
| C13 | C14 | H5 | H6 | 121.0° | 120.0° |
| C13 | C14 | O16 | H7 | 180.0° | 180.0° |
| C | C13 | C14 | O16 | 90.6° | 175.0° |
| C13 | C | C12 | F7 | 1.1° | 2.7° |
| C13 | C | C12 | O | 129.4° | 119.4° |
| C13 | C | C12 | H2 | 117.6° | 121.2° |
| C13 | C | O | H2 | 116.5° | 121.1° |
| C13 | C | C12 | F57 | 121.3° | 119.9° |
| C13 | C | C12 | C11 | 125.0° | 121.5° |
| C13 | C | O | C1 | 154.0° | 145.9° |
| C | C13 | O15 | H4 | 54.1° | 60.0° |
| C | C13 | C14 | H5 | 29.1° | 55.0° |
| C | C13 | C14 | H6 | 149.7° | 65.0° |
| O16 | C14 | C13 | H3 | 28.4° | 55.0° |
| O16 | C14 | H5 | H6 | 121.0° | 120.0° |
| F7 | C12 | C | F57 | 120.3° | 122.6° |
| F7 | C12 | C | C11 | 126.1° | 118.8° |
| F7 | C12 | C | O | 130.5° | 116.7° |
| F7 | C12 | F57 | C11 | 124.0° | 122.6° |
| F7 | C12 | C11 | F58 | 37.0° | 21.5° |
| F7 | C12 | C11 | F6 | 87.7° | 102.1° |
| F7 | C12 | C11 | C1 | 157.2° | 139.7° |
| F7 | C12 | C | H2 | 116.6° | 123.8° |
| O11 | C9 | C8 | N1 | 180.0° | 179.8° |
| O11 | C9 | C8 | C7 | 180.0° | 180.0° |
| O11 | C9 | N1 | C10 | 179.9° | 180.0° |
| O11 | C9 | C8 | H19 | 0.0° | 0.0° |
| O11 | C9 | N1 | H20 | 0.0° | 0.2° |
| C12 | C | O | H2 | 112.5° | 119.5° |
| C | C12 | F57 | C11 | 109.2° | 114.7° |
| C | C12 | C11 | F58 | 92.0° | 97.4° |
| C12 | C | O | C1 | 23.0° | 26.5° |
| C | C12 | C11 | F6 | 143.3° | 139.1° |
| C | C12 | C11 | C1 | 28.2° | 20.9° |
| C12 | C | C13 | H3 | 113.2° | 65.0° |
| O | C | C12 | F57 | 109.3° | 120.7° |
| O | C | C12 | C11 | 4.4° | 2.1° |
| C | O | C1 | C11 | 40.4° | 40.0° |
| C | O | C1 | O1 | 156.8° | 158.6° |
| C | O | C1 | H1 | 77.5° | 78.5° |
| O | C | C13 | H3 | 121.2° | 177.2° |
| F57 | C12 | C11 | F58 | 157.7° | 144.0° |
| F57 | C12 | C11 | F6 | 33.0° | 20.4° |
| F57 | C12 | C11 | C1 | 82.1° | 97.7° |
| F57 | C12 | C | H2 | 3.7° | 1.3° |
| C12 | C11 | F58 | F6 | 125.1° | 123.6° |
| C12 | C11 | F58 | C1 | 115.4° | 112.8° |
| C12 | C11 | C1 | O | 42.0° | 37.0° |
| C12 | C11 | F6 | C1 | 112.6° | 112.8° |
| C12 | C11 | C1 | O1 | 157.5° | 155.5° |
| C12 | C11 | C1 | H1 | 76.9° | 81.6° |
| C11 | C12 | C | H2 | 117.4° | 117.4° |
| C9 | C8 | C7 | H19 | 180.0° | 180.0° |
| C8 | C9 | N1 | C10 | 0.0° | 0.2° |
| C9 | C8 | C7 | N | 0.2° | 0.0° |
| C9 | C8 | C7 | H18 | 179.8° | 180.0° |
| C8 | C9 | N1 | H20 | 180.0° | 180.0° |
| N1 | C9 | C8 | C7 | 0.1° | 0.3° |
| C9 | N1 | C10 | H20 | 180.0° | 179.8° |
| C9 | N1 | C10 | N | 0.1° | 0.0° |
| C9 | N1 | C10 | O12 | 180.0° | 180.0° |
| N1 | C9 | C8 | H19 | 180.0° | 179.8° |
| F58 | C11 | C1 | O | 78.7° | 81.2° |
| F58 | C11 | F6 | C1 | 121.8° | 123.6° |
| F58 | C11 | C1 | O1 | 36.8° | 37.3° |
| F58 | C11 | C1 | H1 | 162.4° | 160.2° |
| C8 | C7 | N | H18 | 180.0° | 180.0° |
| C8 | C7 | N | C10 | 0.3° | 0.3° |
| C8 | C7 | N | C4 | 179.9° | 180.0° |
| O | C1 | C11 | F6 | 160.0° | 155.2° |
| O | C1 | C11 | O1 | 115.5° | 118.5° |
| O | C1 | C11 | H1 | 118.9° | 118.6° |
| O | C1 | O1 | H1 | 125.4° | 123.0° |
| O | C1 | O1 | P | 90.6° | 95.9° |
| C1 | O | C | H2 | 89.5° | 93.0° |
| F6 | C11 | C1 | O1 | 84.5° | 86.3° |
| F6 | C11 | C1 | H1 | 41.1° | 36.6° |
| C11 | C1 | O1 | H1 | 124.5° | 123.0° |
| C11 | C1 | O1 | P | 159.3° | 150.0° |
| N1 | C10 | N | C7 | 0.2° | 0.3° |
| N1 | C10 | N | O12 | 180.0° | 179.9° |
| N1 | C10 | N | C4 | 179.8° | 179.9° |
| O6 | P1 | O5 | O7 | 121.1° | 120.0° |
| O6 | P1 | O5 | O4 | 129.3° | 120.0° |
| O6 | P1 | O7 | O4 | 116.8° | 120.0° |
| O6 | P1 | O7 | C2 | 166.2° | 55.0° |
| O6 | P1 | O4 | P | 92.0° | 45.0° |
| O6 | P1 | O5 | H9 | 0.0° | 179.9° |
| C1 | O1 | P | O4 | 123.5° | 175.0° |
| C1 | O1 | P | O2 | 5.7° | 55.0° |
| C1 | O1 | P | O3 | 118.8° | 65.0° |
| C7 | N | C10 | C4 | 179.5° | 179.8° |
| C7 | N | C10 | O12 | 179.8° | 179.8° |
| C7 | N | C4 | O8 | 25.8° | 53.3° |
| C7 | N | C4 | C5 | 93.9° | 62.0° |
| C7 | N | C4 | H17 | 147.7° | 175.6° |
| N | C7 | C8 | H19 | 179.8° | 180.0° |
| C10 | N | C4 | O8 | 153.7° | 126.5° |
| C10 | N | C4 | C5 | 86.5° | 118.2° |
| C10 | N | C4 | H17 | 31.9° | 4.2° |
| C10 | N | C7 | H18 | 179.7° | 179.7° |
| N | C10 | N1 | H20 | 179.9° | 179.8° |
| O12 | C10 | N | C4 | 0.3° | 0.0° |
| O12 | C10 | N1 | H20 | 0.1° | 0.2° |
| O1 | P | O4 | P1 | 30.0° | 165.0° |
| O1 | P | O4 | O2 | 116.9° | 120.0° |
| O1 | P | O4 | O3 | 114.8° | 120.0° |
| O1 | P | O2 | O3 | 121.2° | 120.0° |
| P | O1 | C1 | H1 | 34.7° | 27.1° |
| O1 | P | O3 | H8 | 122.3° | 60.0° |
| O5 | P1 | O7 | O4 | 119.7° | 120.0° |
| O5 | P1 | O7 | C2 | 42.6° | 65.0° |
| O5 | P1 | O4 | P | 36.6° | 75.0° |
| O7 | P1 | O4 | P | 155.9° | 165.0° |
| P1 | O7 | C2 | C3 | 161.4° | 180.0° |
| O7 | P1 | O5 | H9 | 121.1° | 60.0° |
| P1 | O7 | C2 | H10 | 41.0° | 60.0° |
| P1 | O7 | C2 | H11 | 78.2° | 60.0° |
| O4 | P1 | O7 | C2 | 77.0° | 175.0° |
| P1 | O4 | P | O2 | 146.9° | 45.0° |
| P1 | O4 | P | O3 | 84.8° | 75.0° |
| O4 | P1 | O5 | H9 | 129.2° | 60.0° |
| N | C4 | O8 | C5 | 122.3° | 118.8° |
| N | C4 | O8 | H17 | 121.5° | 122.3° |
| N | C4 | C5 | H17 | 118.8° | 122.4° |
| N | C4 | O8 | C3 | 116.8° | 159.4° |
| N | C4 | C5 | C6 | 98.8° | 142.8° |
| N | C4 | C5 | O9 | 142.9° | 98.6° |
| N | C4 | C5 | H15 | 18.7° | 24.0° |
| C4 | N | C7 | H18 | 0.1° | 0.0° |
| O7 | C2 | C3 | O8 | 55.4° | 69.6° |
| O7 | C2 | C3 | H10 | 120.4° | 120.0° |
| O7 | C2 | C3 | H11 | 120.4° | 120.0° |
| O7 | C2 | C3 | C6 | 63.0° | 175.0° |
| O7 | C2 | H10 | H11 | 118.8° | 120.0° |
| O7 | C2 | C3 | H12 | 176.4° | 52.8° |
| O4 | P | O2 | O3 | 127.5° | 120.0° |
| O4 | P | O3 | H8 | 127.2° | 60.0° |
| O2 | P | O3 | H8 | 0.0° | 180.0° |
| O8 | C4 | C5 | H17 | 117.1° | 118.8° |
| C4 | O8 | C3 | C2 | 139.9° | 159.3° |
| C4 | O8 | C3 | C6 | 16.5° | 40.5° |
| O8 | C4 | C5 | C6 | 25.3° | 24.0° |
| O8 | C4 | C5 | O9 | 93.0° | 142.7° |
| C4 | O8 | C3 | H12 | 100.0° | 78.3° |
| O8 | C4 | C5 | H15 | 142.8° | 94.7° |
| C5 | C4 | O8 | C3 | 5.5° | 40.5° |
| C4 | C5 | C6 | C3 | 34.2° | 0.0° |
| C4 | C5 | C6 | O9 | 119.6° | 118.6° |
| C4 | C5 | C6 | H15 | 117.3° | 118.8° |
| C4 | C5 | O9 | H15 | 123.6° | 122.7° |
| C4 | C5 | C6 | O10 | 154.3° | 118.6° |
| C4 | C5 | C6 | H13 | 82.2° | 118.7° |
| C4 | C5 | O9 | H16 | 180.0° | 176.1° |
| O8 | C3 | C2 | C6 | 118.4° | 115.4° |
| O8 | C3 | C2 | H12 | 121.0° | 122.4° |
| O8 | C3 | C6 | H12 | 117.4° | 118.9° |
| O8 | C3 | C6 | C5 | 31.8° | 24.0° |
| O8 | C3 | C6 | O10 | 151.8° | 142.6° |
| O8 | C3 | C2 | H10 | 175.8° | 50.4° |
| O8 | C3 | C2 | H11 | 65.0° | 170.4° |
| O8 | C3 | C6 | H13 | 84.8° | 94.8° |
| C3 | O8 | C4 | H17 | 121.7° | 78.3° |
| C2 | C3 | C6 | H12 | 120.5° | 122.2° |
| C2 | C3 | C6 | C5 | 153.9° | 142.8° |
| C2 | C3 | C6 | O10 | 86.1° | 98.5° |
| C3 | C2 | H10 | H11 | 118.8° | 120.0° |
| C2 | C3 | C6 | H13 | 37.3° | 24.0° |
| C3 | C6 | C5 | O10 | 120.1° | 118.6° |
| C3 | C6 | C5 | H13 | 116.4° | 118.7° |
| C3 | C6 | C5 | O9 | 85.3° | 118.7° |
| C3 | C6 | O10 | H13 | 122.6° | 122.6° |
| C6 | C3 | C2 | H10 | 57.4° | 65.0° |
| C6 | C3 | C2 | H11 | 176.6° | 55.0° |
| C3 | C6 | O10 | H14 | 180.0° | 180.0° |
| C3 | C6 | C5 | H15 | 151.5° | 118.8° |
| C6 | C5 | O9 | H15 | 122.6° | 122.6° |
| C5 | C6 | O10 | H13 | 122.8° | 122.8° |
| C5 | C6 | C3 | H12 | 85.6° | 95.0° |
| C5 | C6 | O10 | H14 | 65.4° | 65.4° |
| C6 | C5 | O9 | H16 | 66.1° | 61.4° |
| C6 | C5 | C4 | H17 | 142.4° | 94.8° |
| O9 | C5 | C6 | O10 | 34.7° | 0.1° |
| O9 | C5 | C6 | H13 | 158.2° | 122.7° |
| O9 | C5 | C4 | H17 | 24.1° | 23.8° |
| O10 | C6 | C3 | H12 | 34.4° | 23.7° |
| O10 | C6 | C5 | H15 | 88.4° | 122.6° |
| H2 | C | C13 | H3 | 4.3° | 56.1° |
| H3 | C13 | O15 | H4 | 63.6° | 180.0° |
| H3 | C13 | C14 | H5 | 148.0° | 65.0° |
| H3 | C13 | C14 | H6 | 91.3° | 175.0° |
| H5 | C14 | O16 | H7 | 60.3° | 60.1° |
| H6 | C14 | O16 | H7 | 60.3° | 60.0° |
| H10 | C2 | C3 | H12 | 63.2° | 172.8° |
| H11 | C2 | C3 | H12 | 56.0° | 67.2° |
| H12 | C3 | C6 | H13 | 157.8° | 146.3° |
| H13 | C6 | O10 | H14 | 57.4° | 57.4° |
| H13 | C6 | C5 | H15 | 35.1° | 0.1° |
| H15 | C5 | O9 | H16 | 56.4° | 61.2° |
| H15 | C5 | C4 | H17 | 100.1° | 146.4° |
| H18 | C7 | C8 | H19 | 0.2° | 0.0° |
