3PI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.62Å | |
| C1 | C6 | sing | 1.53Å | 1.64Å | |
| C1 | O1 | sing | 1.43Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.66Å | |
| C2 | O2 | sing | 1.43Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C3 | O3 | sing | 1.43Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.62Å | |
| C4 | O4 | sing | 1.43Å | 1.37Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.59Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.33Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | P1 | sing | 1.61Å | 1.61Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | P3 | sing | 1.61Å | 1.61Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | P5 | sing | 1.61Å | 1.62Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| P1 | O11 | sing | 1.61Å | 1.56Å | |
| P1 | O12 | doub | 1.48Å | 1.56Å | |
| P1 | O13 | sing | 1.61Å | 1.58Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O13 | C7 | sing | 1.43Å | 1.41Å | |
| P3 | O31 | doub | 1.48Å | 1.57Å | |
| P3 | O32 | sing | 1.61Å | 1.59Å | |
| P3 | O33 | sing | 1.61Å | 1.58Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| P5 | O51 | doub | 1.48Å | 1.50Å | |
| P5 | O52 | sing | 1.61Å | 1.48Å | |
| P5 | O53 | sing | 1.61Å | 1.49Å | |
| O52 | H52 | sing | 0.97Å | 0.95Å | |
| O53 | H53 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.45Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.45Å | |
| C8 | O14 | sing | 1.45Å | 1.59Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | O15 | sing | 1.43Å | 1.41Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.45Å | |
| C10 | O15 | sing | 1.43Å | 1.58Å | |
| C10 | O16 | sing | 1.43Å | 1.04Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | O14 | sing | 1.34Å | 1.42Å | |
| C14 | O17 | doub | 1.21Å | 1.25Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 112.3° | 109.5° |
| C2 | C1 | O1 | 109.6° | 109.5° |
| C2 | C1 | H1 | 106.6° | 109.4° |
| C1 | C2 | C3 | 106.9° | 109.5° |
| C1 | C2 | O2 | 108.2° | 109.5° |
| C1 | C2 | H2 | 112.5° | 109.5° |
| C6 | C1 | O1 | 106.8° | 109.5° |
| C6 | C1 | H1 | 109.4° | 109.5° |
| C1 | C6 | C5 | 107.4° | 109.4° |
| C1 | C6 | O6 | 109.8° | 109.5° |
| C1 | C6 | H6 | 111.3° | 109.5° |
| O1 | C1 | H1 | 112.1° | 109.5° |
| C1 | O1 | P1 | 128.9° | 106.9° |
| C3 | C2 | O2 | 111.1° | 109.5° |
| C3 | C2 | H2 | 109.7° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C2 | C3 | O3 | 109.1° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| O2 | C2 | H2 | 108.4° | 109.4° |
| C2 | O2 | HO2 | 109.5° | 106.8° |
| C4 | C3 | O3 | 112.0° | 109.5° |
| C4 | C3 | H3 | 105.9° | 109.5° |
| C3 | C4 | C5 | 108.2° | 109.5° |
| C3 | C4 | O4 | 109.7° | 109.5° |
| C3 | C4 | H4 | 110.7° | 109.5° |
| O3 | C3 | H3 | 108.8° | 109.4° |
| C3 | O3 | P3 | 127.1° | 106.8° |
| C5 | C4 | O4 | 111.1° | 109.5° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C4 | C5 | C6 | 114.1° | 109.5° |
| C4 | C5 | O5 | 110.3° | 109.5° |
| C4 | C5 | H5 | 104.2° | 109.4° |
| O4 | C4 | H4 | 107.8° | 109.4° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| C6 | C5 | O5 | 104.5° | 109.5° |
| C6 | C5 | H5 | 110.0° | 109.5° |
| C5 | C6 | O6 | 111.5° | 109.4° |
| C5 | C6 | H6 | 109.6° | 109.5° |
| O5 | C5 | H5 | 113.9° | 109.4° |
| C5 | O5 | P5 | 126.2° | 106.8° |
| O6 | C6 | H6 | 107.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 106.8° |
| O1 | P1 | O11 | 105.3° | 109.5° |
| O1 | P1 | O12 | 112.4° | 109.4° |
| O1 | P1 | O13 | 114.0° | 109.5° |
| O3 | P3 | O31 | 109.0° | 109.5° |
| O3 | P3 | O32 | 111.1° | 109.5° |
| O3 | P3 | O33 | 107.4° | 109.5° |
| O5 | P5 | O51 | 111.5° | 109.5° |
| O5 | P5 | O52 | 105.4° | 109.5° |
| O5 | P5 | O53 | 112.2° | 109.5° |
| O11 | P1 | O12 | 109.5° | 109.4° |
| O11 | P1 | O13 | 99.4° | 109.5° |
| P1 | O11 | H11 | 109.5° | 106.8° |
| O12 | P1 | O13 | 114.8° | 109.5° |
| P1 | O13 | C7 | 116.9° | 106.8° |
| O13 | C7 | C8 | 102.7° | 109.4° |
| O13 | C7 | H71 | 113.2° | 109.5° |
| O13 | C7 | H72 | 111.8° | 109.5° |
| O31 | P3 | O32 | 108.4° | 109.5° |
| O31 | P3 | O33 | 109.3° | 109.5° |
| O32 | P3 | O33 | 111.6° | 109.5° |
| P3 | O32 | H32 | 109.5° | 106.8° |
| P3 | O33 | H33 | 109.5° | 106.8° |
| O51 | P5 | O52 | 111.5° | 109.5° |
| O51 | P5 | O53 | 107.3° | 109.5° |
| O52 | P5 | O53 | 109.0° | 109.5° |
| P5 | O52 | H52 | 109.5° | 106.8° |
| P5 | O53 | H53 | 109.5° | 106.8° |
| C8 | C7 | H71 | 113.2° | 109.5° |
| C8 | C7 | H72 | 111.8° | 109.5° |
| C7 | C8 | C9 | 106.2° | 109.5° |
| C7 | C8 | O14 | 119.2° | 109.4° |
| C7 | C8 | H8 | 107.5° | 109.5° |
| H71 | C7 | H72 | 104.3° | 109.5° |
| C9 | C8 | O14 | 115.5° | 109.5° |
| C9 | C8 | H8 | 111.9° | 109.5° |
| C8 | C9 | O15 | 126.7° | 109.5° |
| C8 | C9 | H91 | 100.0° | 109.5° |
| C8 | C9 | H92 | 104.1° | 109.5° |
| O14 | C8 | H8 | 96.0° | 109.4° |
| C8 | O14 | C14 | 126.4° | 120.0° |
| O15 | C9 | H91 | 100.1° | 109.4° |
| O15 | C9 | H92 | 104.1° | 109.5° |
| C9 | O15 | C10 | 113.2° | 106.8° |
| H91 | C9 | H92 | 124.2° | 109.5° |
| C11 | C10 | O15 | 92.3° | 109.5° |
| C11 | C10 | O16 | 118.1° | 109.5° |
| C11 | C10 | H10 | 126.2° | 109.5° |
| C10 | C11 | C12 | 113.6° | 109.5° |
| C10 | C11 | H111 | 107.2° | 109.5° |
| C10 | C11 | H112 | 108.1° | 109.5° |
| O15 | C10 | O16 | 130.2° | 109.5° |
| O15 | C10 | H10 | 112.3° | 109.5° |
| O16 | C10 | H10 | 82.0° | 109.5° |
| C10 | O16 | H16 | 109.5° | 106.8° |
| C12 | C11 | H111 | 107.1° | 109.5° |
| C12 | C11 | H112 | 108.1° | 109.4° |
| C11 | C12 | C13 | 101.3° | 109.5° |
| C11 | C12 | H121 | 114.0° | 109.5° |
| C11 | C12 | H122 | 112.3° | 109.5° |
| H111 | C11 | H112 | 112.8° | 109.4° |
| C13 | C12 | H121 | 114.0° | 109.5° |
| C13 | C12 | H122 | 112.3° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| H121 | C12 | H122 | 103.4° | 109.4° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| C15 | C14 | O14 | 108.7° | 120.0° |
| C15 | C14 | O17 | 120.6° | 120.0° |
| C14 | C15 | C16 | 114.7° | 109.5° |
| C14 | C15 | H151 | 106.6° | 109.4° |
| C14 | C15 | H152 | 107.8° | 109.5° |
| O14 | C14 | O17 | 130.5° | 120.0° |
| C16 | C15 | H151 | 106.6° | 109.4° |
| C16 | C15 | H152 | 107.8° | 109.5° |
| C15 | C16 | C17 | 106.8° | 109.5° |
| C15 | C16 | H161 | 110.9° | 109.4° |
| C15 | C16 | H162 | 110.3° | 109.5° |
| H151 | C15 | H152 | 113.6° | 109.4° |
| C17 | C16 | H161 | 111.0° | 109.4° |
| C17 | C16 | H162 | 110.4° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.4° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| H161 | C16 | H162 | 107.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 120.2° | 120.0° |
| C2 | C1 | C6 | H1 | 118.2° | 119.9° |
| C2 | C1 | O1 | H1 | 118.2° | 120.0° |
| C1 | C2 | C3 | O2 | 117.8° | 120.0° |
| C1 | C2 | C3 | H2 | 122.3° | 120.0° |
| C1 | C2 | O2 | H2 | 122.3° | 120.0° |
| C1 | C2 | C3 | C4 | 59.1° | 60.0° |
| C1 | C2 | C3 | O3 | 176.4° | 180.0° |
| C1 | C2 | C3 | H3 | 57.7° | 60.0° |
| C2 | C1 | C6 | C5 | 58.2° | 60.0° |
| C2 | C1 | C6 | O6 | 179.7° | 180.0° |
| C2 | C1 | C6 | H6 | 61.8° | 60.0° |
| C2 | C1 | O1 | P1 | 96.5° | 120.0° |
| C1 | C2 | O2 | HO2 | 75.3° | 180.0° |
| C6 | C1 | O1 | H1 | 119.9° | 120.0° |
| C6 | C1 | C2 | C3 | 58.6° | 60.0° |
| C6 | C1 | C2 | O2 | 61.1° | 60.0° |
| C6 | C1 | C2 | H2 | 179.1° | 180.0° |
| C1 | C6 | C5 | C4 | 57.5° | 60.0° |
| C1 | C6 | C5 | O6 | 120.4° | 120.0° |
| C1 | C6 | C5 | H6 | 121.1° | 120.0° |
| C1 | C6 | C5 | O5 | 178.1° | 180.0° |
| C1 | C6 | C5 | H5 | 59.2° | 60.0° |
| C1 | C6 | O6 | H6 | 121.1° | 120.1° |
| C6 | C1 | O1 | P1 | 141.5° | 120.0° |
| C1 | C6 | O6 | HO6 | 19.3° | 180.0° |
| O1 | C1 | C2 | C3 | 177.3° | 60.0° |
| O1 | C1 | C2 | O2 | 57.6° | 180.0° |
| O1 | C1 | C2 | H2 | 62.2° | 60.0° |
| O1 | C1 | C6 | C5 | 178.5° | 60.0° |
| O1 | C1 | C6 | O6 | 60.1° | 59.9° |
| O1 | C1 | C6 | H6 | 58.5° | 180.0° |
| C1 | O1 | P1 | O11 | 179.0° | 65.0° |
| C1 | O1 | P1 | O12 | 61.8° | 55.0° |
| C1 | O1 | P1 | O13 | 71.2° | 175.0° |
| H1 | C1 | C2 | C3 | 61.2° | 180.0° |
| H1 | C1 | C2 | O2 | 179.1° | 60.0° |
| H1 | C1 | C2 | H2 | 59.3° | 60.0° |
| H1 | C1 | C6 | C5 | 60.0° | 180.0° |
| H1 | C1 | C6 | O6 | 61.5° | 60.1° |
| H1 | C1 | C6 | H6 | 180.0° | 60.0° |
| H1 | C1 | O1 | P1 | 21.7° | 0.0° |
| C3 | C2 | O2 | H2 | 120.7° | 120.0° |
| C2 | C3 | C4 | O3 | 122.9° | 120.0° |
| C2 | C3 | C4 | H3 | 118.6° | 120.0° |
| C2 | C3 | O3 | H3 | 118.8° | 120.0° |
| C2 | C3 | C4 | C5 | 58.1° | 60.0° |
| C2 | C3 | C4 | O4 | 179.5° | 180.0° |
| C2 | C3 | C4 | H4 | 61.7° | 60.0° |
| C3 | C2 | O2 | HO2 | 167.7° | 60.0° |
| C2 | C3 | O3 | P3 | 70.7° | 120.0° |
| O2 | C2 | C3 | C4 | 58.7° | 60.0° |
| O2 | C2 | C3 | O3 | 65.8° | 60.0° |
| O2 | C2 | C3 | H3 | 175.5° | 180.0° |
| H2 | C2 | C3 | C4 | 178.6° | 180.0° |
| H2 | C2 | C3 | O3 | 54.1° | 60.0° |
| H2 | C2 | C3 | H3 | 64.6° | 60.0° |
| H2 | C2 | O2 | HO2 | 47.1° | 60.0° |
| C4 | C3 | O3 | H3 | 116.7° | 120.0° |
| C3 | C4 | C5 | O4 | 120.6° | 120.0° |
| C3 | C4 | C5 | H4 | 120.6° | 120.0° |
| C3 | C4 | O4 | H4 | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 58.6° | 60.0° |
| C3 | C4 | C5 | O5 | 175.9° | 180.0° |
| C3 | C4 | C5 | H5 | 61.4° | 60.0° |
| C4 | C3 | O3 | P3 | 164.8° | 120.0° |
| C3 | C4 | O4 | HO4 | 148.7° | 180.0° |
| O3 | C3 | C4 | C5 | 179.0° | 180.0° |
| O3 | C3 | C4 | O4 | 57.6° | 60.0° |
| O3 | C3 | C4 | H4 | 61.3° | 60.0° |
| C3 | O3 | P3 | O31 | 116.3° | 55.0° |
| C3 | O3 | P3 | O32 | 3.1° | 65.0° |
| C3 | O3 | P3 | O33 | 125.4° | 175.0° |
| H3 | C3 | C4 | C5 | 60.5° | 60.0° |
| H3 | C3 | C4 | O4 | 60.9° | 60.0° |
| H3 | C3 | C4 | H4 | 179.8° | 180.0° |
| H3 | C3 | O3 | P3 | 48.0° | 0.0° |
| C5 | C4 | O4 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | O5 | 120.6° | 120.0° |
| C4 | C5 | C6 | H5 | 116.7° | 120.0° |
| C4 | C5 | O5 | H5 | 116.8° | 119.9° |
| C4 | C5 | C6 | O6 | 177.9° | 180.0° |
| C4 | C5 | C6 | H6 | 63.6° | 60.0° |
| C5 | C4 | O4 | HO4 | 91.6° | 60.0° |
| C4 | C5 | O5 | P5 | 86.1° | 120.0° |
| O4 | C4 | C5 | C6 | 179.2° | 180.0° |
| O4 | C4 | C5 | O5 | 63.5° | 60.0° |
| O4 | C4 | C5 | H5 | 59.1° | 60.0° |
| H4 | C4 | C5 | C6 | 62.0° | 60.0° |
| H4 | C4 | C5 | O5 | 55.3° | 60.0° |
| H4 | C4 | C5 | H5 | 177.9° | 179.9° |
| H4 | C4 | O4 | HO4 | 28.1° | 60.0° |
| C6 | C5 | O5 | H5 | 120.1° | 120.1° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C6 | C5 | O5 | P5 | 150.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 99.7° | 60.0° |
| O5 | C5 | C6 | O6 | 61.5° | 60.0° |
| O5 | C5 | C6 | H6 | 57.0° | 60.0° |
| C5 | O5 | P5 | O51 | 31.6° | 55.0° |
| C5 | O5 | P5 | O52 | 152.7° | 65.0° |
| C5 | O5 | P5 | O53 | 88.8° | 175.0° |
| H5 | C5 | C6 | O6 | 61.2° | 60.0° |
| H5 | C5 | C6 | H6 | 179.7° | 180.0° |
| H5 | C5 | O5 | P5 | 30.7° | 0.1° |
| H6 | C6 | O6 | HO6 | 140.4° | 59.9° |
| O1 | P1 | O11 | O12 | 121.1° | 119.9° |
| O1 | P1 | O11 | O13 | 118.2° | 120.1° |
| O1 | P1 | O12 | O13 | 132.5° | 120.0° |
| O1 | P1 | O11 | H11 | 173.6° | 60.1° |
| O1 | P1 | O13 | C7 | 21.5° | 175.0° |
| O3 | P3 | O31 | O32 | 121.1° | 120.0° |
| O3 | P3 | O31 | O33 | 117.1° | 120.0° |
| O3 | P3 | O32 | O33 | 119.9° | 120.0° |
| O3 | P3 | O32 | H32 | 167.3° | 60.0° |
| O3 | P3 | O33 | H33 | 17.4° | 180.0° |
| O5 | P5 | O51 | O52 | 117.5° | 120.0° |
| O5 | P5 | O51 | O53 | 123.2° | 120.0° |
| O5 | P5 | O52 | O53 | 120.6° | 120.0° |
| O5 | P5 | O52 | H52 | 119.0° | 60.0° |
| O5 | P5 | O53 | H53 | 64.4° | 180.0° |
| O11 | P1 | O12 | O13 | 110.8° | 120.0° |
| O11 | P1 | O13 | C7 | 90.0° | 64.9° |
| O12 | P1 | O11 | H11 | 52.5° | 180.0° |
| O12 | P1 | O13 | C7 | 153.3° | 55.0° |
| O13 | P1 | O11 | H11 | 68.2° | 60.0° |
| P1 | O13 | C7 | C8 | 168.8° | 180.0° |
| P1 | O13 | C7 | H71 | 68.8° | 60.0° |
| P1 | O13 | C7 | H72 | 48.7° | 60.0° |
| O13 | C7 | C8 | H71 | 122.5° | 120.0° |
| O13 | C7 | C8 | H72 | 120.0° | 120.0° |
| O13 | C7 | H71 | H72 | 121.8° | 120.0° |
| O13 | C7 | C8 | C9 | 137.3° | 175.0° |
| O13 | C7 | C8 | O14 | 90.1° | 65.0° |
| O13 | C7 | C8 | H8 | 17.4° | 54.9° |
| O31 | P3 | O32 | O33 | 120.4° | 120.0° |
| O31 | P3 | O32 | H32 | 72.9° | 180.0° |
| O31 | P3 | O33 | H33 | 100.8° | 60.0° |
| O32 | P3 | O33 | H33 | 139.4° | 60.0° |
| O33 | P3 | O32 | H32 | 47.5° | 60.1° |
| O51 | P5 | O52 | O53 | 118.3° | 120.0° |
| O51 | P5 | O52 | H52 | 119.8° | 180.0° |
| O51 | P5 | O53 | H53 | 58.4° | 60.0° |
| O52 | P5 | O53 | H53 | 179.3° | 60.0° |
| O53 | P5 | O52 | H52 | 1.5° | 60.0° |
| C8 | C7 | H71 | H72 | 121.8° | 120.0° |
| C7 | C8 | C9 | O14 | 134.6° | 120.0° |
| C7 | C8 | C9 | H8 | 117.0° | 120.0° |
| C7 | C8 | O14 | H8 | 113.8° | 120.0° |
| C7 | C8 | C9 | O15 | 154.5° | 175.0° |
| C7 | C8 | C9 | H91 | 94.8° | 65.0° |
| C7 | C8 | C9 | H92 | 34.5° | 55.0° |
| C7 | C8 | O14 | C14 | 9.3° | 150.0° |
| H71 | C7 | C8 | C9 | 100.3° | 65.0° |
| H71 | C7 | C8 | O14 | 32.3° | 55.0° |
| H71 | C7 | C8 | H8 | 139.9° | 174.9° |
| H72 | C7 | C8 | C9 | 17.3° | 55.0° |
| H72 | C7 | C8 | O14 | 149.8° | 175.0° |
| H72 | C7 | C8 | H8 | 102.6° | 65.0° |
| C9 | C8 | O14 | H8 | 117.8° | 120.0° |
| C8 | C9 | O15 | H91 | 110.7° | 120.0° |
| C8 | C9 | O15 | H92 | 120.0° | 120.1° |
| C8 | C9 | H91 | H92 | 114.8° | 120.0° |
| C8 | C9 | O15 | C10 | 161.4° | 180.0° |
| C9 | C8 | O14 | C14 | 137.7° | 90.0° |
| O14 | C8 | C9 | O15 | 70.9° | 65.0° |
| O14 | C8 | C9 | H91 | 39.8° | 55.0° |
| O14 | C8 | C9 | H92 | 169.0° | 175.0° |
| C8 | O14 | C14 | C15 | 170.2° | 180.0° |
| C8 | O14 | C14 | O17 | 15.3° | 0.0° |
| H8 | C8 | C9 | O15 | 37.5° | 55.0° |
| H8 | C8 | C9 | H91 | 148.2° | 175.0° |
| H8 | C8 | C9 | H92 | 82.5° | 65.0° |
| H8 | C8 | O14 | C14 | 104.5° | 30.0° |
| O15 | C9 | H91 | H92 | 114.9° | 120.0° |
| C9 | O15 | C10 | C11 | 144.9° | 170.0° |
| C9 | O15 | C10 | O16 | 14.4° | 70.0° |
| C9 | O15 | C10 | H10 | 84.2° | 50.0° |
| H91 | C9 | O15 | C10 | 87.9° | 60.0° |
| H92 | C9 | O15 | C10 | 41.4° | 60.0° |
| C11 | C10 | O15 | O16 | 130.5° | 120.0° |
| C11 | C10 | O15 | H10 | 130.9° | 120.0° |
| C11 | C10 | O16 | H10 | 126.9° | 120.0° |
| C10 | C11 | C12 | H111 | 118.2° | 120.1° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 118.8° | 120.0° |
| C10 | C11 | C12 | C13 | 173.5° | 180.0° |
| C10 | C11 | C12 | H121 | 50.6° | 59.9° |
| C10 | C11 | C12 | H122 | 66.6° | 60.0° |
| C11 | C10 | O16 | H16 | 7.4° | 60.0° |
| O15 | C10 | O16 | H10 | 112.5° | 120.0° |
| O15 | C10 | C11 | C12 | 55.2° | 175.0° |
| O15 | C10 | C11 | H111 | 62.9° | 55.0° |
| O15 | C10 | C11 | H112 | 175.2° | 65.0° |
| O15 | C10 | O16 | H16 | 128.0° | 59.9° |
| O16 | C10 | C11 | C12 | 166.0° | 65.0° |
| O16 | C10 | C11 | H111 | 75.9° | 175.0° |
| O16 | C10 | C11 | H112 | 46.0° | 55.0° |
| H10 | C10 | C11 | C12 | 64.8° | 55.0° |
| H10 | C10 | C11 | H111 | 177.1° | 65.0° |
| H10 | C10 | C11 | H112 | 55.2° | 175.0° |
| H10 | C10 | O16 | H16 | 119.5° | 180.0° |
| C12 | C11 | H111 | H112 | 118.9° | 119.9° |
| C11 | C12 | C13 | H121 | 122.9° | 120.1° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 122.2° | 120.0° |
| C11 | C12 | C13 | H131 | 41.0° | 60.0° |
| C11 | C12 | C13 | H132 | 79.0° | 60.0° |
| C11 | C12 | C13 | H133 | 161.0° | 180.0° |
| H111 | C11 | C12 | C13 | 68.4° | 59.9° |
| H111 | C11 | C12 | H121 | 168.7° | 180.0° |
| H111 | C11 | C12 | H122 | 51.6° | 60.1° |
| H112 | C11 | C12 | C13 | 53.5° | 60.0° |
| H112 | C11 | C12 | H121 | 69.4° | 60.1° |
| H112 | C11 | C12 | H122 | 173.5° | 180.0° |
| C13 | C12 | H121 | H122 | 122.1° | 119.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.1° | 120.1° |
| C12 | C13 | H132 | H133 | 120.1° | 120.1° |
| H121 | C12 | C13 | H131 | 163.9° | 60.1° |
| H121 | C12 | C13 | H132 | 43.9° | 180.0° |
| H121 | C12 | C13 | H133 | 76.1° | 59.9° |
| H122 | C12 | C13 | H131 | 79.0° | 180.0° |
| H122 | C12 | C13 | H132 | 161.0° | 60.0° |
| H122 | C12 | C13 | H133 | 41.0° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| C15 | C14 | O14 | O17 | 174.4° | 180.0° |
| C14 | C15 | C16 | H151 | 117.7° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.1° |
| C14 | C15 | H151 | H152 | 118.5° | 120.0° |
| C14 | C15 | C16 | C17 | 176.9° | 180.0° |
| C14 | C15 | C16 | H161 | 62.1° | 60.1° |
| C14 | C15 | C16 | H162 | 56.9° | 60.0° |
| O14 | C14 | C15 | C16 | 25.5° | 180.0° |
| O14 | C14 | C15 | H151 | 143.2° | 60.0° |
| O14 | C14 | C15 | H152 | 94.5° | 59.9° |
| O17 | C14 | C15 | C16 | 159.4° | 0.1° |
| O17 | C14 | C15 | H151 | 41.8° | 120.0° |
| O17 | C14 | C15 | H152 | 80.5° | 120.0° |
| C16 | C15 | H151 | H152 | 118.5° | 120.0° |
| C15 | C16 | C17 | H161 | 121.0° | 119.9° |
| C15 | C16 | C17 | H162 | 120.0° | 120.1° |
| C15 | C16 | H161 | H162 | 120.7° | 120.0° |
| C15 | C16 | C17 | H171 | 147.7° | 180.0° |
| C15 | C16 | C17 | H172 | 92.3° | 60.0° |
| C15 | C16 | C17 | H173 | 27.7° | 59.9° |
| H151 | C15 | C16 | C17 | 59.2° | 60.0° |
| H151 | C15 | C16 | H161 | 179.7° | 180.0° |
| H151 | C15 | C16 | H162 | 60.8° | 60.0° |
| H152 | C15 | C16 | C17 | 63.1° | 59.9° |
| H152 | C15 | C16 | H161 | 58.0° | 60.0° |
| H152 | C15 | C16 | H162 | 176.9° | 180.0° |
| C17 | C16 | H161 | H162 | 120.8° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 119.9° |
| C16 | C17 | H171 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| H161 | C16 | C17 | H171 | 26.6° | 60.0° |
| H161 | C16 | C17 | H172 | 146.6° | 180.0° |
| H161 | C16 | C17 | H173 | 93.4° | 60.0° |
| H162 | C16 | C17 | H171 | 92.4° | 60.0° |
| H162 | C16 | C17 | H172 | 27.6° | 60.0° |
| H162 | C16 | C17 | H173 | 147.6° | 180.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
