I35
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O15 | C10 | sing | 1.34Å | 1.40Å | |
| O15 | C9 | sing | 1.45Å | 1.43Å | |
| C10 | O16 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| O14 | C14 | sing | 1.34Å | 1.36Å | |
| O14 | C8 | sing | 1.45Å | 1.46Å | |
| C14 | O17 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| O12 | P1 | doub | 1.48Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| O13 | C7 | sing | 1.43Å | 1.46Å | |
| O13 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O11 | sing | 1.61Å | 1.51Å | |
| P1 | O1 | sing | 1.61Å | 1.61Å | |
| O1 | C1 | sing | 1.43Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O3 | P3 | sing | 1.61Å | 1.60Å | |
| O33 | P3 | doub | 1.48Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| O31 | P3 | sing | 1.61Å | 1.50Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| O52 | P5 | doub | 1.48Å | 1.53Å | |
| P3 | O32 | sing | 1.61Å | 1.54Å | |
| O5 | P5 | sing | 1.61Å | 1.63Å | |
| P5 | O51 | sing | 1.61Å | 1.54Å | |
| P5 | O53 | sing | 1.61Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å | |
| O31 | H11 | sing | 0.97Å | 0.95Å | |
| O32 | H12 | sing | 0.97Å | 0.95Å | |
| O51 | H13 | sing | 0.97Å | 0.95Å | |
| O53 | H14 | sing | 0.97Å | 0.95Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 113.0° | 109.5° |
| C12 | C11 | C10 | 114.3° | 109.5° |
| C12 | C11 | H20 | 108.3° | 109.5° |
| C12 | C11 | H21 | 108.2° | 109.5° |
| C11 | C12 | H22 | 108.6° | 109.5° |
| C11 | C12 | H23 | 108.6° | 109.5° |
| C13 | C12 | H22 | 108.6° | 109.5° |
| C13 | C12 | H23 | 108.6° | 109.5° |
| C12 | C13 | H24 | 109.5° | 109.5° |
| C12 | C13 | H25 | 109.4° | 109.5° |
| C12 | C13 | H26 | 109.5° | 109.4° |
| C10 | O15 | C9 | 114.3° | 117.0° |
| O15 | C10 | O16 | 119.5° | 120.0° |
| O15 | C10 | C11 | 108.2° | 120.0° |
| O15 | C9 | C8 | 110.8° | 109.5° |
| O15 | C9 | H18 | 109.1° | 109.5° |
| O15 | C9 | H19 | 109.2° | 109.4° |
| O16 | C10 | C11 | 124.2° | 120.0° |
| C10 | C11 | H20 | 108.2° | 109.5° |
| C10 | C11 | H21 | 108.2° | 109.5° |
| C14 | O14 | C8 | 121.2° | 117.0° |
| O14 | C14 | O17 | 125.1° | 120.0° |
| O14 | C14 | C15 | 114.1° | 119.9° |
| O14 | C8 | C9 | 114.0° | 109.5° |
| O14 | C8 | C7 | 108.4° | 109.5° |
| O14 | C8 | H17 | 107.9° | 109.5° |
| O17 | C14 | C15 | 120.8° | 120.1° |
| C14 | C15 | C16 | 114.3° | 109.4° |
| C14 | C15 | H27 | 108.3° | 109.5° |
| C14 | C15 | H28 | 108.2° | 109.5° |
| C15 | C16 | C17 | 113.3° | 109.5° |
| C16 | C15 | H27 | 108.2° | 109.5° |
| C16 | C15 | H28 | 108.3° | 109.4° |
| C15 | C16 | H29 | 108.5° | 109.4° |
| C15 | C16 | H30 | 108.5° | 109.5° |
| C9 | C8 | C7 | 111.8° | 109.5° |
| C9 | C8 | H17 | 107.2° | 109.5° |
| C8 | C9 | H18 | 109.2° | 109.5° |
| C8 | C9 | H19 | 109.1° | 109.5° |
| C8 | C7 | O13 | 113.8° | 109.5° |
| C8 | C7 | H15 | 108.4° | 109.4° |
| C8 | C7 | H16 | 108.4° | 109.5° |
| C7 | C8 | H17 | 107.3° | 109.4° |
| O12 | P1 | O13 | 109.1° | 109.5° |
| O12 | P1 | O11 | 117.7° | 109.4° |
| O12 | P1 | O1 | 109.2° | 109.5° |
| C17 | C16 | H29 | 108.5° | 109.5° |
| C17 | C16 | H30 | 108.5° | 109.5° |
| C16 | C17 | H31 | 109.5° | 109.4° |
| C16 | C17 | H32 | 109.5° | 109.5° |
| C16 | C17 | H33 | 109.5° | 109.5° |
| C7 | O13 | P1 | 119.2° | 123.0° |
| O13 | C7 | H15 | 108.4° | 109.4° |
| O13 | C7 | H16 | 108.4° | 109.5° |
| O13 | P1 | O11 | 110.2° | 109.5° |
| O13 | P1 | O1 | 101.2° | 109.5° |
| O11 | P1 | O1 | 108.1° | 109.5° |
| P1 | O11 | H10 | 109.5° | 113.9° |
| P1 | O1 | C1 | 121.3° | 123.0° |
| O1 | C1 | C2 | 108.5° | 109.5° |
| O1 | C1 | C6 | 106.2° | 109.5° |
| O1 | C1 | H1 | 110.9° | 109.4° |
| C2 | C1 | C6 | 111.0° | 109.5° |
| C1 | C2 | O2 | 104.3° | 109.5° |
| C1 | C2 | C3 | 112.0° | 109.5° |
| C2 | C1 | H1 | 110.1° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C1 | C6 | O6 | 108.8° | 109.5° |
| C1 | C6 | C5 | 109.6° | 109.5° |
| C6 | C1 | H1 | 110.1° | 109.4° |
| C1 | C6 | H6 | 108.4° | 109.4° |
| O2 | C2 | C3 | 112.5° | 109.4° |
| O2 | C2 | H2 | 110.3° | 109.5° |
| C2 | O2 | H7 | 109.5° | 114.0° |
| C2 | C3 | O3 | 109.3° | 109.5° |
| C2 | C3 | C4 | 113.3° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| O6 | C6 | C5 | 111.9° | 109.5° |
| O6 | C6 | H6 | 109.6° | 109.5° |
| C6 | O6 | H9 | 109.5° | 114.0° |
| C6 | C5 | C4 | 108.6° | 109.5° |
| C6 | C5 | O5 | 109.6° | 109.5° |
| C6 | C5 | H5 | 109.7° | 109.5° |
| C5 | C6 | H6 | 108.4° | 109.4° |
| O3 | C3 | C4 | 106.4° | 109.5° |
| C3 | O3 | P3 | 122.2° | 123.0° |
| O3 | C3 | H3 | 109.8° | 109.4° |
| C3 | C4 | C5 | 110.9° | 109.5° |
| C3 | C4 | O4 | 111.3° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C3 | C4 | H4 | 107.9° | 109.5° |
| O3 | P3 | O33 | 107.0° | 109.5° |
| O3 | P3 | O31 | 103.0° | 109.5° |
| O3 | P3 | O32 | 107.4° | 109.5° |
| O33 | P3 | O31 | 110.0° | 109.5° |
| O33 | P3 | O32 | 112.8° | 109.5° |
| C4 | C5 | O5 | 108.7° | 109.5° |
| C5 | C4 | O4 | 109.6° | 109.5° |
| C5 | C4 | H4 | 108.0° | 109.5° |
| C4 | C5 | H5 | 109.7° | 109.5° |
| C5 | O5 | P5 | 124.7° | 123.0° |
| O5 | C5 | H5 | 110.5° | 109.5° |
| O31 | P3 | O32 | 115.8° | 109.5° |
| P3 | O31 | H11 | 109.5° | 114.0° |
| O4 | C4 | H4 | 109.1° | 109.5° |
| C4 | O4 | H8 | 109.5° | 114.0° |
| O52 | P5 | O5 | 104.0° | 109.5° |
| O52 | P5 | O51 | 112.6° | 109.5° |
| O52 | P5 | O53 | 112.2° | 109.5° |
| P3 | O32 | H12 | 109.5° | 114.0° |
| O5 | P5 | O51 | 106.2° | 109.4° |
| O5 | P5 | O53 | 112.3° | 109.4° |
| O51 | P5 | O53 | 109.3° | 109.5° |
| P5 | O51 | H13 | 109.5° | 114.1° |
| P5 | O53 | H14 | 109.5° | 114.0° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H24 | C13 | H25 | 109.5° | 109.5° |
| H24 | C13 | H26 | 109.4° | 109.5° |
| H25 | C13 | H26 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.4° | 109.6° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H33 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H22 | 120.5° | 120.0° |
| C11 | C12 | C13 | H23 | 120.5° | 120.0° |
| C12 | C11 | C10 | O15 | 153.4° | 180.0° |
| C12 | C11 | C10 | O16 | 58.5° | 0.0° |
| C12 | C11 | C10 | H20 | 120.7° | 120.0° |
| C12 | C11 | C10 | H21 | 120.7° | 120.0° |
| C12 | C11 | H20 | H21 | 117.8° | 120.0° |
| C11 | C12 | H22 | H23 | 118.4° | 120.0° |
| C11 | C12 | C13 | H24 | 180.0° | 180.0° |
| C11 | C12 | C13 | H25 | 60.0° | 60.0° |
| C11 | C12 | C13 | H26 | 60.0° | 60.0° |
| C13 | C12 | C11 | C10 | 168.7° | 180.0° |
| C13 | C12 | C11 | H20 | 70.6° | 60.0° |
| C13 | C12 | C11 | H21 | 48.0° | 60.0° |
| C13 | C12 | H22 | H23 | 118.4° | 120.0° |
| C12 | C13 | H24 | H25 | 120.0° | 120.0° |
| C12 | C13 | H24 | H26 | 120.0° | 119.9° |
| C12 | C13 | H25 | H26 | 120.0° | 119.9° |
| O15 | C10 | O16 | C11 | 144.8° | 180.0° |
| C10 | O15 | C9 | C8 | 154.9° | 180.0° |
| C10 | O15 | C9 | H18 | 84.9° | 60.0° |
| C10 | O15 | C9 | H19 | 34.7° | 60.0° |
| O15 | C10 | C11 | H20 | 32.7° | 60.0° |
| O15 | C10 | C11 | H21 | 85.9° | 60.0° |
| C9 | O15 | C10 | O16 | 62.6° | 0.0° |
| C9 | O15 | C10 | C11 | 87.2° | 180.0° |
| O15 | C9 | C8 | O14 | 59.3° | 65.0° |
| O15 | C9 | C8 | H18 | 120.2° | 120.0° |
| O15 | C9 | C8 | H19 | 120.2° | 120.0° |
| O15 | C9 | C8 | C7 | 177.4° | 175.0° |
| O15 | C9 | C8 | H17 | 60.1° | 55.0° |
| O15 | C9 | H18 | H19 | 119.4° | 120.0° |
| O16 | C10 | C11 | H20 | 179.2° | 120.0° |
| O16 | C10 | C11 | H21 | 62.2° | 120.0° |
| C10 | C11 | H20 | H21 | 117.8° | 120.0° |
| C10 | C11 | C12 | H22 | 70.8° | 60.0° |
| C10 | C11 | C12 | H23 | 48.2° | 60.0° |
| O14 | C14 | O17 | C15 | 177.6° | 180.0° |
| O14 | C14 | C15 | C16 | 95.9° | 180.0° |
| C14 | O14 | C8 | C9 | 32.3° | 90.0° |
| C14 | O14 | C8 | C7 | 92.9° | 150.0° |
| C14 | O14 | C8 | H17 | 151.2° | 30.0° |
| O14 | C14 | C15 | H27 | 24.8° | 60.0° |
| O14 | C14 | C15 | H28 | 143.4° | 60.1° |
| C8 | O14 | C14 | O17 | 40.7° | 0.0° |
| C8 | O14 | C14 | C15 | 141.6° | 180.0° |
| O14 | C8 | C9 | C7 | 123.3° | 120.0° |
| O14 | C8 | C9 | H17 | 119.3° | 120.0° |
| O14 | C8 | C7 | H17 | 116.3° | 120.0° |
| O14 | C8 | C7 | O13 | 61.2° | 65.0° |
| O14 | C8 | C7 | H15 | 59.4° | 175.0° |
| O14 | C8 | C7 | H16 | 178.1° | 55.0° |
| O14 | C8 | C9 | H18 | 61.0° | 175.0° |
| O14 | C8 | C9 | H19 | 179.4° | 55.0° |
| O17 | C14 | C15 | C16 | 86.3° | 0.0° |
| O17 | C14 | C15 | H27 | 153.0° | 120.0° |
| O17 | C14 | C15 | H28 | 34.4° | 119.9° |
| C14 | C15 | C16 | H27 | 120.7° | 120.0° |
| C14 | C15 | C16 | H28 | 120.7° | 119.9° |
| C14 | C15 | C16 | C17 | 160.8° | 180.0° |
| C14 | C15 | H27 | H28 | 117.8° | 120.1° |
| C14 | C15 | C16 | H29 | 78.6° | 60.0° |
| C14 | C15 | C16 | H30 | 40.2° | 60.0° |
| C15 | C16 | C17 | H29 | 120.6° | 120.0° |
| C15 | C16 | C17 | H30 | 120.6° | 120.0° |
| C16 | C15 | H27 | H28 | 117.8° | 120.0° |
| C15 | C16 | H29 | H30 | 118.2° | 120.0° |
| C15 | C16 | C17 | H31 | 180.0° | 60.0° |
| C15 | C16 | C17 | H32 | 60.0° | 60.0° |
| C15 | C16 | C17 | H33 | 60.0° | 180.0° |
| C9 | C8 | C7 | H17 | 117.3° | 120.0° |
| C9 | C8 | C7 | O13 | 172.3° | 175.0° |
| C9 | C8 | C7 | H15 | 67.0° | 55.0° |
| C9 | C8 | C7 | H16 | 51.7° | 65.0° |
| C8 | C9 | H18 | H19 | 119.4° | 120.0° |
| C8 | C7 | O13 | H15 | 120.6° | 120.0° |
| C8 | C7 | O13 | H16 | 120.6° | 120.1° |
| C8 | C7 | O13 | P1 | 113.9° | 180.0° |
| C8 | C7 | H15 | H16 | 118.0° | 120.0° |
| C7 | C8 | C9 | H18 | 62.4° | 55.0° |
| C7 | C8 | C9 | H19 | 57.2° | 65.0° |
| O12 | P1 | O13 | C7 | 88.1° | 55.0° |
| O12 | P1 | O13 | O11 | 130.7° | 120.0° |
| O12 | P1 | O13 | O1 | 115.1° | 120.0° |
| O12 | P1 | O11 | O1 | 124.3° | 119.9° |
| O12 | P1 | O1 | C1 | 175.4° | 55.0° |
| O12 | P1 | O11 | H10 | 0.0° | 180.0° |
| C17 | C16 | C15 | H27 | 40.0° | 60.1° |
| C17 | C16 | C15 | H28 | 78.5° | 60.0° |
| C17 | C16 | H29 | H30 | 118.2° | 120.0° |
| C16 | C17 | H31 | H32 | 120.0° | 120.0° |
| C16 | C17 | H31 | H33 | 120.0° | 120.0° |
| C16 | C17 | H32 | H33 | 120.0° | 120.0° |
| C7 | O13 | P1 | O11 | 141.3° | 64.9° |
| C7 | O13 | P1 | O1 | 27.0° | 175.0° |
| O13 | C7 | H15 | H16 | 118.1° | 120.0° |
| O13 | C7 | C8 | H17 | 55.1° | 54.9° |
| O13 | P1 | O11 | O1 | 109.7° | 120.0° |
| O13 | P1 | O1 | C1 | 69.6° | 175.0° |
| O13 | P1 | O11 | H10 | 125.9° | 60.0° |
| P1 | O13 | C7 | H15 | 6.7° | 60.0° |
| P1 | O13 | C7 | H16 | 125.5° | 59.9° |
| O11 | P1 | O1 | C1 | 46.1° | 65.0° |
| P1 | O1 | C1 | C2 | 132.4° | 120.0° |
| P1 | O1 | C1 | C6 | 108.2° | 120.0° |
| P1 | O1 | C1 | H1 | 11.4° | 0.0° |
| O1 | P1 | O11 | H10 | 124.3° | 60.0° |
| O1 | C1 | C2 | C6 | 116.3° | 120.1° |
| O1 | C1 | C2 | H1 | 121.5° | 120.0° |
| O1 | C1 | C6 | H1 | 120.1° | 120.0° |
| O1 | C1 | C2 | O2 | 45.4° | 60.1° |
| O1 | C1 | C2 | C3 | 167.4° | 180.0° |
| O1 | C1 | C6 | O6 | 59.5° | 60.0° |
| O1 | C1 | C6 | C5 | 177.9° | 180.0° |
| O1 | C1 | C2 | H2 | 72.3° | 60.0° |
| O1 | C1 | C6 | H6 | 59.7° | 60.1° |
| C2 | C1 | C6 | H1 | 122.2° | 120.0° |
| C1 | C2 | O2 | C3 | 121.6° | 120.0° |
| C1 | C2 | O2 | H2 | 116.8° | 120.0° |
| C1 | C2 | C3 | H2 | 120.4° | 120.1° |
| C2 | C1 | C6 | O6 | 177.2° | 180.0° |
| C2 | C1 | C6 | C5 | 60.2° | 59.9° |
| C1 | C2 | C3 | O3 | 165.9° | 180.0° |
| C1 | C2 | C3 | C4 | 47.3° | 60.0° |
| C1 | C2 | C3 | H3 | 74.2° | 60.0° |
| C2 | C1 | C6 | H6 | 58.0° | 60.0° |
| C1 | C2 | O2 | H7 | 180.0° | 179.9° |
| C6 | C1 | C2 | O2 | 70.9° | 60.0° |
| C6 | C1 | C2 | C3 | 51.1° | 59.9° |
| C1 | C6 | O6 | C5 | 121.3° | 120.0° |
| C1 | C6 | O6 | H6 | 118.4° | 120.0° |
| C1 | C6 | C5 | H6 | 118.2° | 119.9° |
| C1 | C6 | C5 | C4 | 64.2° | 60.0° |
| C1 | C6 | C5 | O5 | 177.2° | 179.9° |
| C6 | C1 | C2 | H2 | 171.4° | 180.0° |
| C1 | C6 | C5 | H5 | 55.7° | 60.0° |
| C1 | C6 | O6 | H9 | 127.2° | 179.9° |
| O2 | C2 | C3 | H2 | 122.5° | 120.0° |
| O2 | C2 | C3 | O3 | 48.7° | 60.0° |
| O2 | C2 | C3 | C4 | 69.8° | 60.0° |
| O2 | C2 | C1 | H1 | 166.9° | 180.0° |
| O2 | C2 | C3 | H3 | 168.7° | 180.0° |
| C2 | C3 | O3 | C4 | 122.7° | 120.0° |
| C2 | C3 | O3 | H3 | 119.4° | 120.0° |
| C2 | C3 | C4 | H3 | 121.5° | 120.0° |
| C2 | C3 | O3 | P3 | 140.2° | 120.0° |
| C2 | C3 | C4 | C5 | 51.9° | 60.0° |
| C2 | C3 | C4 | O4 | 174.2° | 180.0° |
| C3 | C2 | C1 | H1 | 71.1° | 60.0° |
| C2 | C3 | C4 | H4 | 66.1° | 60.0° |
| C3 | C2 | O2 | H7 | 58.4° | 60.0° |
| O6 | C6 | C5 | H6 | 121.0° | 120.0° |
| O6 | C6 | C5 | C4 | 175.0° | 180.0° |
| O6 | C6 | C5 | O5 | 56.4° | 60.0° |
| O6 | C6 | C1 | H1 | 60.6° | 60.0° |
| O6 | C6 | C5 | H5 | 65.1° | 60.0° |
| C6 | C5 | C4 | C3 | 59.7° | 60.0° |
| C6 | C5 | C4 | O5 | 119.2° | 120.0° |
| C6 | C5 | C4 | H5 | 119.8° | 120.0° |
| C6 | C5 | O5 | H5 | 121.0° | 120.0° |
| C6 | C5 | C4 | O4 | 177.0° | 180.0° |
| C6 | C5 | O5 | P5 | 102.4° | 119.9° |
| C5 | C6 | C1 | H1 | 62.0° | 60.0° |
| C6 | C5 | C4 | H4 | 58.3° | 60.0° |
| C5 | C6 | O6 | H9 | 5.9° | 60.0° |
| O3 | C3 | C4 | H3 | 118.3° | 120.0° |
| C3 | O3 | P3 | O33 | 51.1° | 55.0° |
| O3 | C3 | C4 | C5 | 172.1° | 180.0° |
| C3 | O3 | P3 | O31 | 167.0° | 65.0° |
| O3 | C3 | C4 | O4 | 65.6° | 60.0° |
| C3 | O3 | P3 | O32 | 70.3° | 175.0° |
| O3 | C3 | C2 | H2 | 73.7° | 59.9° |
| O3 | C3 | C4 | H4 | 54.1° | 60.0° |
| C4 | C3 | O3 | P3 | 97.0° | 120.0° |
| C3 | C4 | C5 | O4 | 123.3° | 120.0° |
| C3 | C4 | C5 | H4 | 118.0° | 120.0° |
| C3 | C4 | C5 | O5 | 178.9° | 180.0° |
| C3 | C4 | O4 | H4 | 119.0° | 120.0° |
| C4 | C3 | C2 | H2 | 167.7° | 180.0° |
| C3 | C4 | C5 | H5 | 60.2° | 60.0° |
| C3 | C4 | O4 | H8 | 180.0° | 180.0° |
| O3 | P3 | O33 | O31 | 111.2° | 120.0° |
| O3 | P3 | O33 | O32 | 117.9° | 120.0° |
| O3 | P3 | O31 | O32 | 116.9° | 120.0° |
| P3 | O3 | C3 | H3 | 20.8° | 0.0° |
| O3 | P3 | O31 | H11 | 113.8° | 60.0° |
| O3 | P3 | O32 | H12 | 117.7° | 180.0° |
| O33 | P3 | O31 | O32 | 129.3° | 120.0° |
| O33 | P3 | O31 | H11 | 0.0° | 180.0° |
| O33 | P3 | O32 | H12 | 0.0° | 60.0° |
| C4 | C5 | O5 | H5 | 120.5° | 120.0° |
| C5 | C4 | O4 | H4 | 118.0° | 120.0° |
| C4 | C5 | O5 | P5 | 139.1° | 120.0° |
| C5 | C4 | C3 | H3 | 69.5° | 60.0° |
| C4 | C5 | C6 | H6 | 54.0° | 60.0° |
| C5 | C4 | O4 | H8 | 57.0° | 60.0° |
| O5 | C5 | C4 | O4 | 57.9° | 60.0° |
| C5 | O5 | P5 | O52 | 49.1° | 55.0° |
| C5 | O5 | P5 | O51 | 168.1° | 65.0° |
| C5 | O5 | P5 | O53 | 72.5° | 175.0° |
| O5 | C5 | C4 | H4 | 60.9° | 60.0° |
| O5 | C5 | C6 | H6 | 64.6° | 60.0° |
| O31 | P3 | O32 | H12 | 128.0° | 60.0° |
| O4 | C4 | C3 | H3 | 52.7° | 60.0° |
| O4 | C4 | C5 | H5 | 63.1° | 60.0° |
| O52 | P5 | O5 | O51 | 119.0° | 120.0° |
| O52 | P5 | O5 | O53 | 121.6° | 120.0° |
| O52 | P5 | O51 | O53 | 125.4° | 120.0° |
| O52 | P5 | O51 | H13 | 0.0° | 180.0° |
| O52 | P5 | O53 | H14 | 0.0° | 60.0° |
| O32 | P3 | O31 | H11 | 129.3° | 60.0° |
| O5 | P5 | O51 | O53 | 121.3° | 120.0° |
| P5 | O5 | C5 | H5 | 18.6° | 0.1° |
| O5 | P5 | O51 | H13 | 113.2° | 60.0° |
| O5 | P5 | O53 | H14 | 116.7° | 180.0° |
| O51 | P5 | O53 | H14 | 125.7° | 60.1° |
| O53 | P5 | O51 | H13 | 125.4° | 59.9° |
| H1 | C1 | C2 | H2 | 49.2° | 60.0° |
| H1 | C1 | C6 | H6 | 179.8° | 180.0° |
| H2 | C2 | C3 | H3 | 46.2° | 60.0° |
| H2 | C2 | O2 | H7 | 63.2° | 59.9° |
| H3 | C3 | C4 | H4 | 172.5° | NaN° |
| H4 | C4 | C5 | H5 | 178.1° | 180.0° |
| H4 | C4 | O4 | H8 | 61.1° | 60.0° |
| H5 | C5 | C6 | H6 | 173.9° | 179.9° |
| H6 | C6 | O6 | H9 | 114.4° | 59.9° |
| H15 | C7 | C8 | H17 | 175.7° | 65.0° |
| H16 | C7 | C8 | H17 | 65.6° | 175.0° |
| H17 | C8 | C9 | H18 | 179.7° | 65.0° |
| H17 | C8 | C9 | H19 | 60.1° | 175.0° |
| H20 | C11 | C12 | H22 | 49.9° | 180.0° |
| H20 | C11 | C12 | H23 | 168.9° | 60.0° |
| H21 | C11 | C12 | H22 | 168.5° | 60.0° |
| H21 | C11 | C12 | H23 | 72.5° | 180.0° |
| H22 | C12 | C13 | H24 | 59.4° | 60.0° |
| H22 | C12 | C13 | H25 | 179.5° | 180.0° |
| H22 | C12 | C13 | H26 | 60.5° | 60.0° |
| H23 | C12 | C13 | H24 | 59.5° | 60.0° |
| H23 | C12 | C13 | H25 | 60.5° | 60.0° |
| H23 | C12 | C13 | H26 | 179.5° | 180.0° |
| H24 | C13 | H25 | H26 | 120.0° | 120.1° |
| H27 | C15 | C16 | H29 | 160.6° | 180.0° |
| H27 | C15 | C16 | H30 | 80.6° | 60.0° |
| H28 | C15 | C16 | H29 | 42.1° | 59.9° |
| H28 | C15 | C16 | H30 | 160.9° | 179.9° |
| H29 | C16 | C17 | H31 | 59.4° | 180.0° |
| H29 | C16 | C17 | H32 | 179.4° | 60.0° |
| H29 | C16 | C17 | H33 | 60.6° | 60.0° |
| H30 | C16 | C17 | H31 | 59.4° | 60.0° |
| H30 | C16 | C17 | H32 | 60.6° | 180.0° |
| H30 | C16 | C17 | H33 | 179.5° | 60.0° |
| H31 | C17 | H32 | H33 | 120.0° | 120.0° |
